SCHEMBL395932

SCHEMBL395932

Cc1c(C(=O)O)c(C)n(C(C(N)=O)N2CCCC2)c1C=C1C(=O)Nc2cc(NC(=O)Nc3cccc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)c3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.50
▸ NTRK1 P04629 5/20 0.45
▸ CSF1R P07333 4/20 0.45
▸ BTK Q06187 1/20 0.44
▸ NTRK3 Q16288 1/20 0.43
▸ FLT3 P36888 5/20 0.43
▸ FLT4 P35916 4/20 0.43
▸ KDR P35968 4/20 0.43
▸ KIT P10721 1/20 0.43
▸ NTRK2 Q16620 3/20 0.41
▸ AURKB Q96GD4 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL398200 0.96 RET (0.53) RETNTRK1CSF1RBTKNTRK3
SCHEMBL396423 0.90 FLT3 (0.51) NTRK1CSF1RNTRK3FLT3FLT4
SCHEMBL393783 0.90 RET (0.51) RETNTRK1CSF1RBTKNTRK3
SCHEMBL395939 0.89 RET (0.49) RETNTRK1CSF1RBTKNTRK3
SCHEMBL394153 0.88 RET (0.45) RETNTRK1CSF1RBTKNTRK3
SCHEMBL398246 0.87 NTRK1 (0.53) NTRK1NTRK3FLT3FLT4KDR
SCHEMBL395533 0.86 FLT3 (0.48) NTRK1FLT3FLT4KDRKIT
SCHEMBL394537 0.86 NTRK1 (0.52) NTRK1NTRK3FLT3FLT4KDR
SCHEMBL396893 0.86 FLT3 (0.47) NTRK1FLT3FLT4KDRKIT
SCHEMBL393048 0.86 RET (0.54) RETNTRK1CSF1RBTKNTRK3

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
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 — — US claimed
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 — — US disclosed
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