SCHEMBL396423

SCHEMBL396423

Cc1c(C(=O)O)c(C)n(C(C(N)=O)N2CCCC2)c1C=C1C(=O)Nc2cc(NC(=O)Nc3cccc(NC(=O)c4ccccc4)c3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 10/20 0.51
▸ FLT4 P35916 9/20 0.51
▸ KDR P35968 8/20 0.51
▸ KIT P10721 6/20 0.51
▸ NTRK1 P04629 4/20 0.48
▸ AURKB Q96GD4 5/20 0.44
▸ PDGFRB P09619 1/20 0.43
▸ NTRK3 Q16288 2/20 0.42
▸ TLK2 Q86UE8 1/20 0.42
▸ NTRK2 Q16620 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ CSF1R P07333 1/20 0.40

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
SCHEMBL398246 0.96 NTRK1 (0.53) FLT3FLT4KDRKITNTRK1
SCHEMBL395533 0.96 FLT3 (0.48) FLT3FLT4KDRKITNTRK1
SCHEMBL394537 0.96 NTRK1 (0.52) FLT3FLT4KDRKITNTRK1
SCHEMBL396893 0.96 FLT3 (0.47) FLT3FLT4KDRKITNTRK1
SCHEMBL396344 0.93 FLT3 (0.47) FLT3FLT4KDRKITNTRK1
SCHEMBL393773 0.91 TLK2 (0.48) FLT3FLT4KDRKITNTRK1
SCHEMBL396420 0.90 MAPK14 (0.45) FLT3FLT4KDRKITNTRK1
SCHEMBL395932 0.90 RET (0.50) FLT3FLT4KDRKITNTRK1
SCHEMBL399113 0.89 NTRK1 (0.51) FLT3FLT4KDRKITNTRK1
SCHEMBL394096 0.89 NTRK1 (0.56) FLT3FLT4KDRKITNTRK1

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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