SCHEMBL395931

SCHEMBL395931

Cc1[nH]c(C=C2C(=O)Nc3cc(NC(=O)Nc4cccc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)c4)ccc32)c(C)c1C(=O)NCCN1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.63
KDR P35968 6/20 0.63
AURKB Q96GD4 4/20 0.63
PDGFRB P09619 3/20 0.63
MET P08581 1/20 0.63
KIT P10721 2/20 0.60
AURKA O14965 1/20 0.60
LCK P06239 1/20 0.60
KCNH2 Q12809 1/20 0.60
FGFR1 P11362 2/20 0.57
TLK2 Q86UE8 1/20 0.57
RET P07949 1/20 0.57
NTRK2 Q16620 1/20 0.57
NTRK1 P04629 1/20 0.54
FLT4 P35916 3/20 0.53
CSF1R P07333 8/20 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
SCHEMBL10091885 1.00 FLT3 (0.63) FLT3KDRAURKBPDGFRBMET
SCHEMBL10091884 0.95 KDR (0.68) FLT3KDRAURKBPDGFRBMET
SCHEMBL398199 0.95 KDR (0.68) FLT3KDRAURKBPDGFRBMET
SCHEMBL10091883 0.93 NTRK2 (0.64) FLT3KDRAURKBPDGFRBMET
SCHEMBL393782 0.93 NTRK2 (0.64) FLT3KDRAURKBPDGFRBMET
SCHEMBL10091878 0.91 CSF1R (0.63) FLT3KDRAURKBPDGFRBKIT
SCHEMBL395938 0.91 CSF1R (0.63) FLT3KDRAURKBPDGFRBKIT
SCHEMBL4000442 0.91 FLT3 (0.65) FLT3KDRAURKBPDGFRBMET
SCHEMBL4136312 0.91 FLT3 (0.65) FLT3KDRAURKBPDGFRBMET
SCHEMBL396422 0.91 FLT3 (0.69) FLT3KDRAURKBPDGFRBMET

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