SCHEMBL393779

SCHEMBL393779

Cc1[nH]c(C=C2C(=O)Nc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc32)c(C)c1C(=O)NCCN(C)C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK2 Q16620 1/20 0.67
FLT3 P36888 4/20 0.61
AURKB Q96GD4 2/20 0.61
PRKAA1 Q13131 8/20 0.60
PRKAA2 P54646 7/20 0.60
KDR P35968 6/20 0.60
PDGFRB P09619 2/20 0.60
FGFR1 P11362 2/20 0.60
CSF1R P07333 4/20 0.59
NTRK1 P04629 2/20 0.56
NTRK3 Q16288 1/20 0.54
KIT P10721 1/20 0.51
FLT4 P35916 1/20 0.51

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
SCHEMBL10091852 1.00 NTRK2 (0.67) NTRK2FLT3AURKBPRKAA1PRKAA2
SCHEMBL397946 0.97 NTRK2 (0.73) NTRK2FLT3AURKBPRKAA1PRKAA2
SCHEMBL10091899 0.97 NTRK2 (0.73) NTRK2FLT3AURKBPRKAA1PRKAA2
SCHEMBL10091859 0.93 CSF1R (0.69) NTRK2FLT3AURKBPRKAA1PRKAA2
SCHEMBL395944 0.93 CSF1R (0.69) NTRK2FLT3AURKBPRKAA1PRKAA2
SCHEMBL10091898 0.90 NTRK2 (0.66) NTRK2FLT3AURKBPRKAA1PRKAA2
SCHEMBL396229 0.90 NTRK2 (0.66) NTRK2FLT3AURKBPRKAA1PRKAA2
SCHEMBL394230 0.90 FLT3 (0.65) NTRK2FLT3AURKBPRKAA1PRKAA2
SCHEMBL10091945 0.90 FLT3 (0.65) NTRK2FLT3AURKBPRKAA1PRKAA2
SCHEMBL395050 0.88 NTRK2 (0.66) NTRK2FLT3AURKBPRKAA1PRKAA2

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