SCHEMBL3764902

SCHEMBL3764902

COc1cc(N2CCOC[C@@H]2C)ccc1Nc1cc2c(Nc3ccc(F)cc3C(N)=O)cncc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 5/20 0.44
▸ MAPK10 P53779 5/20 0.40
▸ MAPK9 P45984 4/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MTOR P42345 5/20 0.40
▸ CSF1R P07333 1/20 0.38
▸ PIK3C3 Q8NEB9 2/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ PTK2 Q05397 1/20 0.36

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
SCHEMBL3749879 0.95 IGF1R (0.50) IGF1RMAPK10MAPK9MAPK8MTOR
SCHEMBL3694235 0.94 IGF1R (0.42) IGF1RMAPK10MAPK9MAPK8MTOR
SCHEMBL3692119 0.89 IGF1R (0.43) IGF1RMAPK10MAPK9MAPK8MTOR
SCHEMBL3766069 0.89 IGF1R (0.41) IGF1RMAPK10MAPK9MAPK8MTOR
SCHEMBL3757422 0.88 IGF1R (0.43) IGF1RMAPK10MAPK9MAPK8PIK3C3
SCHEMBL3690156 0.85 IGF1R (0.51) IGF1RMAPK10MAPK9MAPK8PTK2
SCHEMBL3692916 0.84 IGF1R (0.62) IGF1RMAPK10MAPK9MAPK8CSF1R
SCHEMBL3757450 0.82 ZAP70 (0.52) IGF1RMAPK10MAPK9MAPK8CSF1R
SCHEMBL3686747 0.82 IGF1R (0.63) IGF1RMAPK10MAPK8
SCHEMBL3697393 0.80 MAPK10 (0.62) IGF1RMAPK10MAPK9MAPK8CSF1R

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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