SCHEMBL2115819

SCHEMBL2115819

CCC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1S

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT1 Q9H9B1 1/20 0.71
EGFR P00533 1/20 0.69
ERBB2 P04626 1/20 0.69
ADORA3 P0DMS8 3/20 0.66
DOT1L Q8TEK3 2/20 0.66
AMD1 P17707 1/20 0.66
DPP4 P27487 1/20 0.66
MEN1 O00255 1/20 0.66
SLC28A1 O00337 1/20 0.66
MAP3K7 O43318 1/20 0.66
SLC28A2 O43868 1/20 0.66
GAPDH P04406 1/20 0.66
MAPK1 P28482 1/20 0.66
ADORA2A P29274 1/20 0.66
ADORA2B P29275 1/20 0.66
ADORA1 P30542 1/20 0.66
STAT6 P42226 1/20 0.66
PI4KA P42356 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2829517 0.93 EHMT1 (0.78) EHMT1EGFRERBB2ADORA3DOT1L
SCHEMBL16512995 0.91 EHMT1 (0.85) EHMT1ADORA3DOT1LAMD1DPP4
SCHEMBL505376 0.91 EGFR (0.71) EHMT1EGFRERBB2ADORA3DOT1L
SCHEMBL2116140 0.88 EGFR (0.65) EHMT1EGFRERBB2ADORA3DOT1L
SCHEMBL1490898 0.88 EGFR (0.71) EHMT1EGFRERBB2ADORA3DOT1L
SCHEMBL10665708 0.88 EHMT1 (0.70) EHMT1EGFRERBB2ADORA3DOT1L
SCHEMBL2832754 0.87 EGFR (0.61) EHMT1EGFRERBB2ADORA3DOT1L
SCHEMBL30893122 0.87 EGFR (0.84) EGFRERBB2ADORA3DOT1LAMD1
SCHEMBL5695357 0.87 EGFR (0.84) EGFRERBB2ADORA3DOT1LAMD1
SCHEMBL2829298 0.86 EGFR (0.62) EHMT1EGFRERBB2ADORA3DOT1L

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119351-A1 THERAPY OF TUMORS AND INFECTIOUS AGENTS DEFICIENT IN METHYLTHIOADENOSINE PHOSPHORYLASE LUBIN ADAM (US) 2015-04-30 US claimed
US-8796241-B2 Therapy of tumors and infectious agents deficient in methylthioadenosine phosphorylase LUBIN ADAM (US) 2014-08-05 US claimed
US-20120094947-A1 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2012-04-19 US claimed
US-20150119351-A1 THERAPY OF TUMORS AND INFECTIOUS AGENTS DEFICIENT IN METHYLTHIOADENOSINE PHOSPHORYLASE LUBIN ADAM (US) 2015-04-30 US disclosed
US-8796241-B2 Therapy of tumors and infectious agents deficient in methylthioadenosine phosphorylase LUBIN ADAM (US) 2014-08-05 US disclosed
US-20120094947-A1 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2012-04-19 US disclosed
EP-1874790-B1 NEW S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES RWTH AACHEN (DE) 2010-08-18 EP disclosed
EP-2192905-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE Lubin, Adam (US) 2010-06-09 EP disclosed
WO-2009032057-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2009-03-12 WO disclosed
EP-1874790-A2 NEW S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES RWTH Aachen (DE) 2008-01-09 EP disclosed
WO-2006108678-A2 NEW S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES RWTH AACHEN (DE) 2006-10-19 WO disclosed
EP-1712557-A1 New s-adenosyl-L-methionine analogues with extended activated groups for transfer by methyltransferases RWTH Aachen (DE) 2006-10-18 EP disclosed
EP-0233031-B1 METHYLTHIORIBOSE ANALOGUES, THEIR PREPARATION AND USE AS MEDICINAL AGENTS AND BIOCIDES STATE OF OREGON BY AND THROUGH OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OREGON HEALTH SC. UNIV. AND OREGON STATE UNIV. (US) 1993-04-07 EP disclosed
US-4820692-A PARASITICIDES, FUNGICIDES STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND OREGON STATE UNIVERSITY (US) 1989-04-11 US disclosed
EP-0233031-A2 Methylthioribose analogues, their preparation and use as medicinal agents and biocides STATE OF OREGON BY AND THROUGH OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OREGON HEALTH SC. UNIV. AND OREGON STATE UNIV. (US) 1987-08-19 EP disclosed
US-4454122-A ALSO ANTIPYRETICS, ANTICOAGULANTS BIORESEARCH S.R.L. (IT) 1984-06-12 US disclosed
US-4373097-A Process for preparing adenosine derivatives of anti-inflammatory and analgesic activity BIORESEARCH S.R.L. (IT) 1983-02-08 US disclosed