SCHEMBL398242

SCHEMBL398242

CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(Nc4cccc(NC(=O)c5ccccc5)c4)cc32)c1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.74
KDR P35968 12/20 0.69
PDGFRB P09619 6/20 0.69
FGFR1 P11362 4/20 0.69
EGFR P00533 3/20 0.69
KIT P10721 2/20 0.69
NEK2 P51955 2/20 0.69
MELK Q14680 2/20 0.69
PRKAA1 Q13131 9/20 0.69
PRKAA2 P54646 8/20 0.69
CSF1R P07333 4/20 0.67
GRK5 P34947 3/20 0.67
PLK4 O00444 2/20 0.67
DCLK1 O15075 2/20 0.67
PDPK1 O15530 2/20 0.67
DAPK3 O43293 2/20 0.67
ROCK2 O75116 2/20 0.67
RPS6KA5 O75582 2/20 0.67
RPS6KA4 O75676 2/20 0.67
MAP4K4 O95819 2/20 0.67

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
SCHEMBL10091914 1.00 FLT3 (0.74) FLT3KDRPDGFRBFGFR1EGFR
SCHEMBL396849 0.94 KDR (0.69) FLT3KDRPDGFRBFGFR1EGFR
SCHEMBL10091894 0.94 KDR (0.69) FLT3KDRPDGFRBFGFR1EGFR
SCHEMBL10091916 0.92 FLT3 (0.71) FLT3KDRPDGFRBFGFR1EGFR
SCHEMBL399276 0.92 FLT3 (0.71) FLT3KDRPDGFRBFGFR1EGFR
SCHEMBL394524 0.90 CSF1R (0.73) FLT3KDRPDGFRBFGFR1EGFR
SCHEMBL10091889 0.90 CSF1R (0.73) FLT3KDRPDGFRBFGFR1EGFR
SCHEMBL10091872 0.90 KDR (0.70) FLT3KDRPDGFRBFGFR1EGFR
SCHEMBL395020 0.90 KDR (0.70) FLT3KDRPDGFRBFGFR1EGFR
SCHEMBL399057 0.90 KDR (0.75) FLT3KDRPDGFRBFGFR1EGFR

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