SCHEMBL3685831

SCHEMBL3685831

CCC(C)N1CCc2cc(OC)c(Nc3cc4c(Nc5cccc(F)c5C(N)=O)cncc4[nH]3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 18/20 0.44
▸ MAPK8 P45983 15/20 0.44
▸ CDC7 O00311 1/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ PRKCG P05129 1/20 0.42
▸ ROS1 P08922 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ FER P16591 1/20 0.42
▸ LTK P29376 1/20 0.42
▸ AXL P30530 1/20 0.42
▸ GRK5 P34947 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ CSNK1A1 P48729 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42

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
SCHEMBL3757548 0.89 MAP4K1 (0.53) IGF1RMAPK8MAP4K1
SCHEMBL3682722 0.88 IGF1R (0.46) IGF1RMAPK8CDC7PLK4CHEK1
SCHEMBL3759311 0.86 IGF1R (0.49) IGF1RMAPK8CDC7PLK4CHEK1
SCHEMBL3804242 0.83 IGF1R (0.62) IGF1RMAPK8CDC7PLK4CHEK1
SCHEMBL3805599 0.83 IGF1R (0.64) IGF1RMAPK8CDC7PLK4CHEK1
SCHEMBL3697226 0.82 IGF1R (0.56) IGF1RMAPK8CDC7PLK4CHEK1
SCHEMBL3686979 0.82 IGF1R (0.64) IGF1RMAPK8CDC7PLK4CHEK1
SCHEMBL3804401 0.81 IGF1R (0.43) IGF1RMAPK8CDC7PLK4CHEK1
SCHEMBL3757287 0.81 IGF1R (0.63) IGF1RMAPK8GRK5ALK
SCHEMBL3687117 0.81 IGF1R (0.63) IGF1RMAPK8ALK

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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