SCHEMBL393970

SCHEMBL393970

CCN(CC)C(C(N)=O)n1c(C)c(C(=O)O)c(C)c1C=C1C(=O)Nc2cc(Nc3cc(NC(=O)c4ccccc4)ccc3C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 4/20 0.44
▸ FLT3 P36888 7/20 0.43
▸ FLT4 P35916 5/20 0.43
▸ KDR P35968 5/20 0.43
▸ KIT P10721 3/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ RET P07949 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ MET P08581 1/20 0.42
▸ ROS1 P08922 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ FGR P09769 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ FGFR4 P22455 1/20 0.42
▸ FGFR3 P22607 1/20 0.42

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
SCHEMBL396159 0.95 FLT3 (0.47) NTRK1FLT3FLT4KDRKIT
SCHEMBL399277 0.95 TLK2 (0.47) NTRK1RETMAPK14TLK2GSK3B
SCHEMBL399058 0.94 FLT3 (0.48) NTRK1FLT3FLT4KDRKIT
SCHEMBL396850 0.93 NTRK1 (0.53) NTRK1FLT3FLT4KDRKIT
SCHEMBL397868 0.92 NTRK1 (0.52) NTRK1FLT3KDRKITJAK2
SCHEMBL394525 0.90 FLT3 (0.51) NTRK1FLT3FLT4KDRKIT
SCHEMBL397245 0.89 MAPK14 (0.37) NTRK1FLT3FLT4KDRKIT
SCHEMBL394110 0.87 FLT3 (0.48) NTRK1FLT3FLT4KDRKIT
SCHEMBL398243 0.87 TLK2 (0.48) NTRK1FLT3FLT4KDRKIT
SCHEMBL394231 0.86 FLT3 (0.50) NTRK1FLT3FLT4KDRKIT

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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