SCHEMBL3687117

SCHEMBL3687117

COc1cc(N2CCN(C(C)C)CC2)c(F)cc1Nc1cc2c(Nc3cccc(F)c3C(N)=O)cncc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 18/20 0.63
▸ MAPK8 P45983 7/20 0.54
▸ MAPK10 P53779 3/20 0.54
▸ INSR P06213 1/20 0.51
▸ ALK Q9UM73 1/20 0.51
▸ BMPR1B O00238 1/20 0.42
▸ BMPR1A P36894 1/20 0.42
▸ ACVR1B P36896 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ ACVRL1 P37023 1/20 0.42
▸ ACVR1 Q04771 1/20 0.42
▸ TNIK Q9UKE5 1/20 0.42
▸ KCNH2 Q12809 1/20 0.40
▸ SCN5A Q14524 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
SCHEMBL3757287 0.96 IGF1R (0.63) IGF1RMAPK8MAPK10INSRALK
SCHEMBL3692911 0.90 IGF1R (0.63) IGF1RMAPK8MAPK10INSRALK
SCHEMBL3694899 0.88 IGF1R (0.62) IGF1RMAPK8MAPK10INSRALK
SCHEMBL3801205 0.88 IGF1R (0.60) IGF1RMAPK8MAPK10INSRALK
SCHEMBL3683708 0.87 IGF1R (0.62) IGF1RMAPK8MAPK10INSRALK
SCHEMBL3264215 0.86 IGF1R (0.48) IGF1RMAPK8MAPK10INSRALK
SCHEMBL3684594 0.85 IGF1R (0.54) IGF1RMAPK8MAPK10INSRALK
SCHEMBL3692551 0.82 IGF1R (0.53) IGF1RMAPK8MAPK10INSRALK
SCHEMBL3687691 0.82 IGF1R (0.62) IGF1RMAPK8MAPK10INSRALK
SCHEMBL3752592 0.82 IGF1R (0.51) IGF1RMAPK8MAPK10INSRALK

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-2188292-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2010-05-26 — — EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — WO disclosed
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