SCHEMBL3692759

SCHEMBL3692759

CCCN1CCC=C(c2ccc(OC)c(Nc3cc4c(Nc5ccc(F)cc5C(N)=O)cncc4[nH]3)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 11/20 0.55
▸ AURKB Q96GD4 2/20 0.47
▸ MAPK8 P45983 2/20 0.45
▸ INSR P06213 1/20 0.45
▸ ALK Q9UM73 1/20 0.45
▸ CCNT1 O60563 6/20 0.38
▸ CDK9 P50750 6/20 0.38
▸ GRK2 P25098 1/20 0.38
▸ GRK5 P34947 1/20 0.38
▸ CSF1R P07333 1/20 0.35

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
SCHEMBL3695916 0.96 IGF1R (0.60) IGF1RAURKBMAPK8INSRALK
SCHEMBL3685794 0.91 IGF1R (0.66) IGF1RAURKBMAPK8INSRALK
SCHEMBL3690895 0.89 IGF1R (0.56) IGF1RAURKBMAPK8INSRALK
SCHEMBL3687871 0.89 IGF1R (0.55) IGF1RAURKBMAPK8INSRALK
SCHEMBL3689329 0.89 IGF1R (0.55) IGF1RAURKBMAPK8INSRALK
SCHEMBL3692560 0.89 IGF1R (0.55) IGF1RAURKBMAPK8INSRALK
SCHEMBL3760948 0.88 IGF1R (0.64) IGF1RAURKBMAPK8INSRALK
SCHEMBL3757215 0.87 IGF1R (0.48) IGF1RAURKBMAPK8INSRALK
SCHEMBL3761417 0.86 IGF1R (0.57) IGF1RAURKBMAPK8INSRALK
SCHEMBL3757299 0.86 IGF1R (0.52) IGF1RAURKBMAPK8INSRALK

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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