SCHEMBL398199

SCHEMBL398199

Cc1[nH]c(C=C2C(=O)Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc32)c(C)c1C(=O)NCCN1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.68
FLT3 P36888 6/20 0.68
AURKB Q96GD4 5/20 0.68
PDGFRB P09619 4/20 0.68
MET P08581 1/20 0.68
FGFR1 P11362 3/20 0.62
TLK2 Q86UE8 1/20 0.62
RET P07949 1/20 0.62
AURKA O14965 1/20 0.61
LCK P06239 1/20 0.61
KIT P10721 1/20 0.61
KCNH2 Q12809 1/20 0.61
NTRK2 Q16620 1/20 0.55
PRKAA1 Q13131 2/20 0.52
CSF1R P07333 5/20 0.52
NTRK1 P04629 1/20 0.52
PRKAA2 P54646 1/20 0.50
FLT4 P35916 1/20 0.49

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
SCHEMBL10091884 1.00 KDR (0.68) KDRFLT3AURKBPDGFRBMET
SCHEMBL395931 0.95 FLT3 (0.63) KDRFLT3AURKBPDGFRBMET
SCHEMBL10091885 0.95 FLT3 (0.63) KDRFLT3AURKBPDGFRBMET
SCHEMBL10091865 0.92 NTRK2 (0.61) KDRFLT3AURKBPDGFRBMET
SCHEMBL393047 0.92 NTRK2 (0.61) KDRFLT3AURKBPDGFRBMET
SCHEMBL10091874 0.91 PRKAA1 (0.66) KDRFLT3AURKBPDGFRBMET
SCHEMBL398743 0.91 PRKAA1 (0.66) KDRFLT3AURKBPDGFRBMET
SCHEMBL4143548 0.90 RET (0.67) KDRFLT3AURKBPDGFRBMET
SCHEMBL4143557 0.90 RET (0.67) KDRFLT3AURKBPDGFRBMET
SCHEMBL10091849 0.89 KDR (0.74) KDRFLT3AURKBPDGFRBMET

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