SCHEMBL3719613

SCHEMBL3719613

COc1ccc([S+](C)[O-])cc1Nc1nccc(-c2c(-c3ccc4nc(Cc5ccccc5)[nH]c4c3)nc3ccccn23)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.42
ERBB2 P04626 7/20 0.42
EGFR P00533 6/20 0.42
CDK19 Q9BWU1 1/20 0.41
ALK Q9UM73 1/20 0.41
ABL1 P00519 2/20 0.40
LCK P06239 2/20 0.40
FYN P06241 2/20 0.40
KDR P35968 2/20 0.40
BTK Q06187 2/20 0.40
AURKB Q96GD4 2/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
ROS1 P08922 1/20 0.40
FLT1 P17948 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL3719496 0.90 IGF1R (0.46) IGF1RERBB2EGFRCDK19ALK
SCHEMBL3719614 0.88 IGF1R (0.44) IGF1RERBB2EGFRCDK19ALK
SCHEMBL3718247 0.88 IGF1R (0.44) IGF1RERBB2EGFRCDK19ALK
SCHEMBL3759198 0.85 INSR (0.47) IGF1RERBB2EGFRCDK19ALK
SCHEMBL3726694 0.85 IGF1R (0.48) IGF1RERBB2EGFRCDK19ALK
SCHEMBL3763966 0.83 IGF1R (0.52) IGF1RERBB2EGFRCDK19ALK
SCHEMBL3720310 0.81 CDK19 (0.44) IGF1RERBB2EGFRCDK19ALK
SCHEMBL3721565 0.81 IGF1R (0.55) IGF1RERBB2EGFRINSRMAPK14
SCHEMBL3761148 0.79 CDK19 (0.44) IGF1RERBB2EGFRCDK19ALK
SCHEMBL3721467 0.79 CDK2 (0.51) IGF1RERBB2EGFRCDK19ALK

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
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO claimed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed