SCHEMBL395533

SCHEMBL395533

Cc1c(C(=O)O)c(C)n(C(C(N)=O)N2CCCC2)c1C=C1C(=O)Nc2cc(NC(=O)c3ccccc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 7/20 0.48
▸ FLT4 P35916 6/20 0.48
▸ KDR P35968 5/20 0.48
▸ KIT P10721 3/20 0.48
▸ NTRK1 P04629 2/20 0.46
▸ AURKB Q96GD4 5/20 0.45
▸ TLK2 Q86UE8 4/20 0.44
▸ GSK3B P49841 3/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ PDGFRB P09619 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
SCHEMBL396893 0.99 FLT3 (0.47) FLT3FLT4KDRKITNTRK1
SCHEMBL396423 0.96 FLT3 (0.51) FLT3FLT4KDRKITNTRK1
SCHEMBL398246 0.96 NTRK1 (0.53) FLT3FLT4KDRKITNTRK1
SCHEMBL394537 0.95 NTRK1 (0.52) FLT3FLT4KDRKITNTRK1
SCHEMBL396344 0.94 FLT3 (0.47) FLT3FLT4KDRKITNTRK1
SCHEMBL396420 0.94 MAPK14 (0.45) FLT3FLT4KDRKITNTRK1
SCHEMBL399113 0.91 NTRK1 (0.51) FLT3FLT4KDRKITNTRK1
SCHEMBL393773 0.90 TLK2 (0.48) FLT3FLT4KDRKITNTRK1
SCHEMBL397251 0.89 FLT3 (0.46) FLT3FLT4KDRKITNTRK1
SCHEMBL398200 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
Send feedback