SCHEMBL7975185

SCHEMBL7975185

COc1ccn2c(-c3ccnc(Nc4ccc(C(=O)NOC5CCCCO5)cc4)n3)c(C(F)(F)F)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 3/20 0.42
IGF1R P08069 5/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CDK2 P24941 4/20 0.39
SYK P43405 2/20 0.38
PTK2 Q05397 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
PLK1 P53350 1/20 0.38
KCNH2 Q12809 1/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
JAK3 P52333 2/20 0.36
MAPK14 Q16539 1/20 0.36
HDAC3 O15379 1/20 0.36
NCOR1 O75376 1/20 0.36
TYK2 P29597 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL10252382 0.92 CDK2 (0.42) INSRIGF1RCDK2SYKPLK1
SCHEMBL7976853 0.91 CDK2 (0.42) INSRIGF1REGFRERBB2CDK2
SCHEMBL10252007 0.88 IGF1R (0.45) INSRIGF1REGFRERBB2CDK2
SCHEMBL7974320 0.85 IGF1R (0.42) IGF1REGFRERBB2CDK2PLK1
SCHEMBL701224 0.84 IGF1R (0.47) INSRIGF1REGFRERBB2SYK
SCHEMBL7963827 0.82 CCNT1 (0.51) INSRIGF1RCDK2IKBKBCHUK
SCHEMBL7974201 0.82 IGF1R (0.46) INSRIGF1REGFRERBB2CDK2
SCHEMBL7980921 0.80 CDK2 (0.43) CDK2KCNH2JAK2JAK1JAK3
SCHEMBL700320 0.80 HDAC1 (0.53) INSRIGF1REGFRERBB2JAK2
SCHEMBL13498475 0.80 SYK (0.40) INSRIGF1RCDK2SYKKCNH2

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
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO disclosed