SCHEMBL3690348

SCHEMBL3690348

COc1ccc(OC[C@H](O)CN2CCCC2)cc1Nc1cc2c(Nc3cc(F)c(F)cc3C(N)=O)cncc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 8/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ CSF1R P07333 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EGFR P00533 2/20 0.35
▸ ATF4 P18848 3/20 0.35
▸ AURKA O14965 1/20 0.35
▸ IGF1R P08069 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
SCHEMBL3696852 0.80 CDK4 (0.41) CSF1REGFRAURKAIGF1R
SCHEMBL2203243 0.78 IGF1R (0.38) ABCB1KDM4EPOLBMEN1KMT2A
SCHEMBL12429650 0.78 IGF1R (0.60) IGF1R
SCHEMBL3693591 0.74 IGF1R (0.47) IGF1R
SCHEMBL3762754 0.74 IGF1R (0.48) CSF1RAURKAIGF1R
SCHEMBL3757450 0.73 ZAP70 (0.52) CSF1REGFRAURKAIGF1R
SCHEMBL3690895 0.71 IGF1R (0.56) CSF1RIGF1R
SCHEMBL3752330 0.71 IGF1R (0.44) IGF1R
SCHEMBL3695065 0.70 IGF1R (0.48) EGFRIGF1R
SCHEMBL3686747 0.69 IGF1R (0.63) IGF1R

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
Send feedback