SCHEMBL2115918

SCHEMBL2115918

CCCCn1cnc2c(S)ncnc21

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.68
CYP1A2 P05177 2/20 0.64
TSHR P16473 1/20 0.64
ADORA1 P30542 6/20 0.54
ADORA2B P29275 1/20 0.54
ALDH1A1 P00352 1/20 0.49
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
TLR7 Q9NYK1 7/20 0.47
TLR9 Q9NR96 1/20 0.47
HTR2C P28335 1/20 0.46
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
TMIGD3 P0DMS9 3/20 0.43

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
SCHEMBL1082007 0.95 ADORA2A (0.61) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL2116000 0.83 ADORA2A (0.64) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL22326754 0.82 ADORA2A (0.69) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL8467559 0.81 ADORA2A (0.60) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL31331791 0.81 ADORA2A (0.68) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL8982987 0.81 ADORA2A (0.68) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL1074972 0.81 ADORA2A (1.00) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL11269779 0.80 ADORA2A (0.66) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL11033550 0.78 ADORA2A (0.45) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL14027563 0.78 ADORA2A (0.59) ADORA2ACYP1A2TSHRADORA1ADORA2B

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 5 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 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-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