SCHEMBL3762754

SCHEMBL3762754

COc1ccc(OCCCN(C)C)cc1Nc1cc2c(Nc3ccc(F)cc3C(N)=O)cncc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 3/20 0.48
▸ MAPK8 P45983 3/20 0.48
▸ CSF1R P07333 6/20 0.42
▸ MAPK10 P53779 1/20 0.41
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.36
▸ KDR P35968 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ CHEK2 O96017 1/20 0.35
▸ CACNA1H O95180 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34

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
SCHEMBL3265898 0.86 IGF1R (0.44) IGF1RMAPK8ABL1BCRHRH3
SCHEMBL3696852 0.83 CDK4 (0.41) IGF1RMAPK8CSF1RMAPK10AURKA
SCHEMBL12429491 0.77 IGF1R (0.78) IGF1RMAPK8
SCHEMBL2209019 0.76 IGF1R (0.51) IGF1RMAPK8CSF1RMAPK10ABL1
SCHEMBL3690348 0.74 ABCB1 (0.37) IGF1RCSF1RAURKA
SCHEMBL3692759 0.73 IGF1R (0.55) IGF1RMAPK8CSF1R
SCHEMBL3686747 0.73 IGF1R (0.63) IGF1RMAPK8MAPK10
SCHEMBL3805222 0.72 IGF1R (0.48) IGF1RCSF1RPDE4B
SCHEMBL3757215 0.72 IGF1R (0.48) IGF1RMAPK8CSF1R
SCHEMBL3764902 0.71 IGF1R (0.44) IGF1RMAPK8CSF1RMAPK10

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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