SCHEMBL397851

SCHEMBL397851

Cc1[nH]c(C=C2C(=O)Nc3cc(C(=O)Nc4cccc(NC(=O)c5ccccc5)c4)ccc32)c(C)c1C(=O)NCCN1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.66
PDGFRB P09619 4/20 0.66
FLT3 P36888 4/20 0.66
AURKB Q96GD4 4/20 0.66
MET P08581 1/20 0.66
FGFR1 P11362 3/20 0.63
TLK2 Q86UE8 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
NTRK2 Q16620 1/20 0.55
FLT4 P35916 1/20 0.54
NTRK1 P04629 1/20 0.53
PRKAA1 Q13131 5/20 0.51
PRKAA2 P54646 4/20 0.51
GRK5 P34947 4/20 0.50
PIM1 P11309 1/20 0.49
CSF1R P07333 1/20 0.48

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
SCHEMBL10091877 1.00 KDR (0.66) KDRPDGFRBFLT3AURKBMET
SCHEMBL396422 0.94 FLT3 (0.69) KDRPDGFRBFLT3AURKBMET
SCHEMBL10091895 0.94 KDR (0.69) KDRPDGFRBFLT3AURKBMET
SCHEMBL398245 0.94 KDR (0.69) KDRPDGFRBFLT3AURKBMET
SCHEMBL10091890 0.94 FLT3 (0.69) KDRPDGFRBFLT3AURKBMET
SCHEMBL395532 0.94 KDR (0.74) KDRPDGFRBFLT3AURKBMET
SCHEMBL10091849 0.94 KDR (0.74) KDRPDGFRBFLT3AURKBMET
SCHEMBL394536 0.94 KDR (0.68) KDRPDGFRBFLT3AURKBMET
SCHEMBL10091896 0.94 KDR (0.68) KDRPDGFRBFLT3AURKBMET
SCHEMBL10091851 0.93 KDR (0.73) KDRPDGFRBFLT3AURKBMET

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