SCHEMBL396168

SCHEMBL396168

Cc1[nH]c(C=C2C(=O)Nc3cc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc32)c(C)c1C(=O)NCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.59
PDGFRB P09619 4/20 0.59
FGFR1 P11362 3/20 0.59
FLT3 P36888 5/20 0.56
AURKB Q96GD4 5/20 0.56
MET P08581 2/20 0.56
NTRK2 Q16620 2/20 0.56
LCK P06239 3/20 0.53
NTRK1 P04629 3/20 0.53
KIT P10721 2/20 0.53
AURKA O14965 1/20 0.53
KCNH2 Q12809 1/20 0.53
TLK2 Q86UE8 3/20 0.51
CSF1R P07333 4/20 0.48
RIOK2 Q9BVS4 2/20 0.48
TLK1 Q9UKI8 2/20 0.48
PRKAA2 P54646 2/20 0.48
PRKAA1 Q13131 2/20 0.48
ABL1 P00519 2/20 0.48
NTRK3 Q16288 2/20 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
SCHEMBL10091927 1.00 KDR (0.59) KDRPDGFRBFGFR1FLT3AURKB
SCHEMBL395024 0.92 KDR (0.61) KDRPDGFRBFGFR1FLT3AURKB
SCHEMBL10091937 0.92 KDR (0.61) KDRPDGFRBFGFR1FLT3AURKB
SCHEMBL10091926 0.92 KDR (0.59) KDRPDGFRBFGFR1FLT3AURKB
SCHEMBL393967 0.92 KDR (0.59) KDRPDGFRBFGFR1FLT3AURKB
SCHEMBL10091855 0.87 KDR (0.67) KDRPDGFRBFGFR1FLT3AURKB
SCHEMBL399112 0.87 KDR (0.67) KDRPDGFRBFGFR1FLT3AURKB
SCHEMBL10091925 0.87 NTRK2 (0.66) KDRPDGFRBFGFR1FLT3AURKB
SCHEMBL395050 0.87 NTRK2 (0.66) KDRPDGFRBFGFR1FLT3AURKB
SCHEMBL10091930 0.86 NTRK1 (0.61) KDRPDGFRBFGFR1FLT3AURKB

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