SCHEMBL397241

SCHEMBL397241

Cc1[nH]c(C=C2C(=O)Nc3c(Nc4cccc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)c4)cccc32)c(C)c1C(=O)NCCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK2 Q16620 1/20 0.56
RET P07949 1/20 0.51
PRKAA1 Q13131 9/20 0.49
KDR P35968 9/20 0.49
PRKAA2 P54646 8/20 0.49
PDGFRB P09619 6/20 0.49
FGFR1 P11362 5/20 0.49
FLT3 P36888 3/20 0.46
NTRK1 P04629 1/20 0.46
TLK2 Q86UE8 1/20 0.45
BTK Q06187 1/20 0.45
EGFR P00533 1/20 0.44
KIT P10721 1/20 0.44
NEK2 P51955 1/20 0.44
MELK Q14680 1/20 0.44
AURKB Q96GD4 2/20 0.43
MET P08581 1/20 0.43

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
SCHEMBL10091909 1.00 NTRK2 (0.56) NTRK2RETPRKAA1KDRPRKAA2
SCHEMBL10091908 0.94 FLT3 (0.54) NTRK2RETPRKAA1KDRPRKAA2
SCHEMBL397630 0.94 FLT3 (0.54) NTRK2RETPRKAA1KDRPRKAA2
SCHEMBL394152 0.93 PDGFRB (0.54) NTRK2RETPRKAA1KDRPRKAA2
SCHEMBL10091910 0.93 PDGFRB (0.54) NTRK2RETPRKAA1KDRPRKAA2
SCHEMBL4128689 0.90 RET (0.55) NTRK2RETKDRPDGFRBFGFR1
SCHEMBL4128697 0.90 RET (0.55) NTRK2RETKDRPDGFRBFGFR1
SCHEMBL393782 0.88 NTRK2 (0.64) NTRK2RETPRKAA1KDRPRKAA2
SCHEMBL10091883 0.88 NTRK2 (0.64) NTRK2RETPRKAA1KDRPRKAA2
SCHEMBL393047 0.86 NTRK2 (0.61) NTRK2RETPRKAA1KDRPRKAA2

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