SCHEMBL395020

SCHEMBL395020

CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cc(C(=O)Nc4cccc(NC(=O)c5ccccc5)c4)ccc32)c1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.70
PRKAA1 Q13131 8/20 0.70
PRKAA2 P54646 6/20 0.70
PDGFRB P09619 6/20 0.70
FGFR1 P11362 4/20 0.70
GRK5 P34947 3/20 0.66
CSF1R P07333 6/20 0.65
FLT3 P36888 3/20 0.65
EGFR P00533 4/20 0.62
PLK4 O00444 2/20 0.62
DCLK1 O15075 2/20 0.62
PDPK1 O15530 2/20 0.62
DAPK3 O43293 2/20 0.62
ROCK2 O75116 2/20 0.62
RPS6KA5 O75582 2/20 0.62
RPS6KA4 O75676 2/20 0.62
MAP4K4 O95819 2/20 0.62
CHEK2 O96017 2/20 0.62
NTRK1 P04629 2/20 0.62
INSR P06213 2/20 0.62

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
SCHEMBL10091872 1.00 KDR (0.70) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL10091889 0.94 CSF1R (0.73) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL394524 0.94 CSF1R (0.73) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL396849 0.94 KDR (0.69) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL10091894 0.94 KDR (0.69) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL10091843 0.94 KDR (0.75) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL399057 0.94 KDR (0.75) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL396403 0.92 KDR (0.66) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL10091882 0.92 KDR (0.66) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL10091914 0.90 FLT3 (0.74) KDRPRKAA1PRKAA2PDGFRBFGFR1

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