SCHEMBL394406

SCHEMBL394406

CCN(CC)C(C(N)=O)n1c(C)c(C(=O)O)c(C)c1C=C1C(=O)Nc2cc(NC(=O)c3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK2 Q16620 8/20 0.59
▸ NTRK1 P04629 7/20 0.59
▸ RAF1 P04049 4/20 0.59
▸ AURKA O14965 1/20 0.59
▸ SRC P12931 1/20 0.59
▸ BRAF P15056 3/20 0.43
▸ NR2E1 Q9Y466 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ EPHB4 P54760 1/20 0.42
▸ MAPT P10636 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
SCHEMBL395675 0.97 NTRK1 (0.61) NTRK2NTRK1RAF1AURKASRC
SCHEMBL396895 0.96 NTRK1 (0.66) NTRK2NTRK1RAF1AURKASRC
SCHEMBL398007 0.95 NTRK1 (0.60) NTRK2NTRK1RAF1AURKASRC
SCHEMBL396341 0.91 NTRK1 (0.63) NTRK2NTRK1RAF1AURKASRC
SCHEMBL397637 0.88 NTRK2 (0.58) NTRK2NTRK1RAF1AURKASRC
SCHEMBL395945 0.87 NTRK1 (0.51) NTRK2NTRK1RAF1AURKASRC
SCHEMBL396192 0.85 NTRK1 (0.61) NTRK2NTRK1RAF1AURKASRC
SCHEMBL396230 0.84 NTRK1 (0.56) NTRK2NTRK1RAF1AURKASRC
SCHEMBL399058 0.83 FLT3 (0.48) NTRK1AURKA
SCHEMBL397868 0.82 NTRK1 (0.52) NTRK2NTRK1RAF1AURKASRC

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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