SCHEMBL399058

SCHEMBL399058

CCN(CC)C(C(N)=O)n1c(C)c(C(=O)O)c(C)c1C=C1C(=O)Nc2cc(NC(=O)c3ccccc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 9/20 0.48
▸ FLT4 P35916 6/20 0.48
▸ KDR P35968 5/20 0.48
▸ KIT P10721 3/20 0.48
▸ NTRK1 P04629 1/20 0.46
▸ AURKB Q96GD4 7/20 0.45
▸ TLK2 Q86UE8 3/20 0.44
▸ GSK3B P49841 3/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ PDGFRB P09619 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ MET P08581 1/20 0.41
▸ AURKC Q9UQB9 1/20 0.41

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
SCHEMBL394525 0.96 FLT3 (0.51) FLT3FLT4KDRKITNTRK1
SCHEMBL396850 0.96 NTRK1 (0.53) FLT3FLT4KDRKITNTRK1
SCHEMBL393970 0.94 NTRK1 (0.44) FLT3FLT4KDRKITNTRK1
SCHEMBL396159 0.94 FLT3 (0.47) FLT3FLT4KDRKITNTRK1
SCHEMBL394231 0.92 FLT3 (0.50) FLT3FLT4KDRKITNTRK1
SCHEMBL395945 0.91 NTRK1 (0.51) FLT3FLT4KDRKITNTRK1
SCHEMBL398243 0.90 TLK2 (0.48) FLT3FLT4KDRKITNTRK1
SCHEMBL399277 0.88 TLK2 (0.47) NTRK1TLK2GSK3BJAK3AURKA
SCHEMBL396230 0.88 NTRK1 (0.56) FLT3FLT4KDRKITNTRK1
SCHEMBL398744 0.88 RET (0.53) FLT3FLT4KDRKITNTRK1

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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