SCHEMBL3690156

SCHEMBL3690156

COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1cc2c(Nc3ccc(F)cc3C(N)=O)cncc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 7/20 0.51
▸ CAMK2D Q13557 1/20 0.47
▸ ALK Q9UM73 4/20 0.46
▸ INSR P06213 2/20 0.46
▸ MAPK10 P53779 6/20 0.46
▸ MAPK9 P45984 5/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ FGFR1 P11362 1/20 0.43
▸ PTK2 Q05397 2/20 0.43
▸ EGFR P00533 2/20 0.43

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
SCHEMBL3805166 0.95 IGF1R (0.57) IGF1RCAMK2DALKINSRMAPK10
SCHEMBL3695065 0.94 IGF1R (0.48) IGF1RCAMK2DALKINSRMAPK10
SCHEMBL3692916 0.89 IGF1R (0.62) IGF1RCAMK2DALKINSRMAPK10
SCHEMBL3757450 0.87 ZAP70 (0.52) IGF1RCAMK2DALKINSRMAPK10
SCHEMBL3266025 0.86 IGF1R (0.53) IGF1RCAMK2DALKINSRFGFR1
SCHEMBL3693459 0.86 IGF1R (0.49) IGF1RCAMK2DALKINSRMAPK10
SCHEMBL3686747 0.85 IGF1R (0.63) IGF1RALKINSRMAPK10MAPK8
SCHEMBL3697393 0.85 MAPK10 (0.62) IGF1RCAMK2DALKINSRMAPK10
SCHEMBL3764902 0.85 IGF1R (0.44) IGF1RMAPK10MAPK9MAPK8PTK2
SCHEMBL3760890 0.84 IGF1R (0.51) IGF1RALKINSRMAPK10MAPK9

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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