SCHEMBL395038

SCHEMBL395038

Cc1ccc(NC(=O)c2ccccc2)cc1Nc1cccc2c1NC(=O)C2=Cc1c(C)c(C(=O)O)c(C)n1C(C(N)=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.38
▸ TLK2 Q86UE8 5/20 0.38
▸ NTRK1 P04629 2/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ GSK3B P49841 3/20 0.36
▸ KIT P10721 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ SERPINE1 P05121 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ PSD A5PKW4 1/20 0.34

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
SCHEMBL397245 0.93 MAPK14 (0.37) MAPK14TLK2NTRK1JAK3GSK3B
SCHEMBL396154 0.87 MAPK14 (0.39) MAPK14TLK2NTRK1JAK3GSK3B
SCHEMBL394110 0.85 FLT3 (0.48) TLK2NTRK1GSK3BKITFLT4
SCHEMBL396429 0.85 NTRK1 (0.40) TLK2NTRK1JAK3GSK3BKIT
SCHEMBL394231 0.84 FLT3 (0.50) TLK2NTRK1JAK3GSK3BKIT
SCHEMBL396406 0.83 NTRK1 (0.55) TLK2NTRK1KITFLT4KDR
SCHEMBL397242 0.82 RET (0.45) NTRK1KDRFLT3AURKB
SCHEMBL399277 0.81 TLK2 (0.47) MAPK14TLK2NTRK1JAK3GSK3B
SCHEMBL393970 0.81 NTRK1 (0.44) MAPK14TLK2NTRK1GSK3BKIT
SCHEMBL394471 0.80 NTRK1 (0.40) MAPK14TLK2NTRK1JAK3GSK3B

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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