SCHEMBL397868

SCHEMBL397868

CCN(CC)C(C(N)=O)n1c(C)c(C(=O)O)c(C)c1C=C1C(=O)Nc2cc(Nc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 12/20 0.52
▸ NTRK3 Q16288 3/20 0.49
▸ NTRK2 Q16620 8/20 0.47
▸ SRC P12931 4/20 0.47
▸ INSR P06213 3/20 0.47
▸ LYN P07948 3/20 0.47
▸ CSF1R P07333 2/20 0.47
▸ KIT P10721 2/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ RET P07949 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ MET P08581 1/20 0.47
▸ ROS1 P08922 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ FGR P09769 1/20 0.47
▸ FLT1 P17948 1/20 0.47
▸ FGFR4 P22455 1/20 0.47
▸ FGFR3 P22607 1/20 0.47
▸ EPHA3 P29320 1/20 0.47

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
SCHEMBL395945 0.94 NTRK1 (0.51) NTRK1NTRK3NTRK2SRCKIT
SCHEMBL396230 0.94 NTRK1 (0.56) NTRK1NTRK3NTRK2SRCKIT
SCHEMBL393970 0.92 NTRK1 (0.44) NTRK1NTRK3NTRK2SRCINSR
SCHEMBL393780 0.87 NTRK1 (0.52) NTRK1NTRK3NTRK2SRCKIT
SCHEMBL397947 0.87 NTRK1 (0.58) NTRK1NTRK3NTRK2SRCKIT
SCHEMBL399277 0.87 TLK2 (0.47) NTRK1RETAURKA
SCHEMBL396159 0.87 FLT3 (0.47) NTRK1NTRK3NTRK2SRCINSR
SCHEMBL396850 0.86 NTRK1 (0.53) NTRK1NTRK3NTRK2SRCKIT
SCHEMBL399058 0.86 FLT3 (0.48) NTRK1KITMETPDGFRBFLT3
SCHEMBL394525 0.84 FLT3 (0.51) NTRK1NTRK3CSF1RKITPDGFRB

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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