SCHEMBL2829298

SCHEMBL2829298

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.62
ERBB2 P04626 1/20 0.62
AHCY P23526 5/20 0.62
AMD1 P17707 1/20 0.60
ADORA3 P0DMS8 4/20 0.60
DOT1L Q8TEK3 2/20 0.60
DPP4 P27487 1/20 0.60
MEN1 O00255 1/20 0.60
SLC28A1 O00337 1/20 0.60
MAP3K7 O43318 1/20 0.60
SLC28A2 O43868 1/20 0.60
GAPDH P04406 1/20 0.60
MAPK1 P28482 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA2B P29275 1/20 0.60
ADORA1 P30542 1/20 0.60
STAT6 P42226 1/20 0.60
PI4KA P42356 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL2832754 0.91 EGFR (0.61) EGFRERBB2AHCYAMD1ADORA3
SCHEMBL2828327 0.88 AHCY (0.65) EGFRERBB2AHCYAMD1ADORA3
SCHEMBL2115819 0.86 EHMT1 (0.71) EGFRERBB2AHCYAMD1ADORA3
SCHEMBL2829517 0.84 EHMT1 (0.78) EGFRERBB2AHCYAMD1ADORA3
SCHEMBL505376 0.84 EGFR (0.71) EGFRERBB2AHCYAMD1ADORA3
SCHEMBL2116140 0.83 EGFR (0.65) EGFRERBB2AHCYAMD1ADORA3
SCHEMBL10665708 0.83 EHMT1 (0.70) EGFRERBB2AHCYAMD1ADORA3
SCHEMBL1490898 0.83 EGFR (0.71) EGFRERBB2AHCYAMD1ADORA3
SCHEMBL30893122 0.82 EGFR (0.84) EGFRERBB2AHCYAMD1ADORA3
SCHEMBL5695357 0.82 EGFR (0.84) EGFRERBB2AHCYAMD1ADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1712557-A1 New s-adenosyl-L-methionine analogues with extended activated groups for transfer by methyltransferases RWTH Aachen (DE) 2006-10-18 EP disclosed