SCHEMBL398243

SCHEMBL398243

CCN(CC)C(C(N)=O)n1c(C)c(C(=O)O)c(C)c1C=C1C(=O)Nc2ccc(Nc3cccc(NC(=O)c4ccccc4)c3)cc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLK2 Q86UE8 7/20 0.48
▸ GSK3B P49841 3/20 0.46
▸ NTRK1 P04629 2/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ AKT2 P31751 5/20 0.41
▸ KIT P10721 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ RET P07949 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
SCHEMBL396850 0.94 NTRK1 (0.53) TLK2NTRK1KITFLT4KDR
SCHEMBL399277 0.93 TLK2 (0.47) TLK2GSK3BNTRK1JAK3AKT2
SCHEMBL394525 0.91 FLT3 (0.51) TLK2NTRK1KITFLT4KDR
SCHEMBL399058 0.90 FLT3 (0.48) TLK2GSK3BNTRK1JAK3KIT
SCHEMBL396429 0.88 NTRK1 (0.40) TLK2GSK3BNTRK1JAK3KIT
SCHEMBL393970 0.87 NTRK1 (0.44) TLK2GSK3BNTRK1KITFLT4
SCHEMBL396230 0.87 NTRK1 (0.56) NTRK1KITFLT4KDRFLT3
SCHEMBL396406 0.86 NTRK1 (0.55) TLK2NTRK1KITFLT4KDR
SCHEMBL393773 0.85 TLK2 (0.48) TLK2GSK3BNTRK1JAK3AKT2
SCHEMBL396159 0.84 FLT3 (0.47) TLK2NTRK1KITFLT4KDR

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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