SCHEMBL5201463

SCHEMBL5201463

NC(=O)c1ncn(-c2ccc(-c3cc(C(F)(F)F)ccc3F)cc2)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.41
FFAR4 Q5NUL3 1/20 0.41
IKBKB O14920 1/20 0.39
SCN9A Q15858 4/20 0.39
MPL P40238 1/20 0.38
CYP2C9 P11712 1/20 0.38
SCN5A Q14524 1/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
RIPK1 Q13546 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MAP4K4 O95819 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KIT P10721 2/20 0.36
FLT3 P36888 2/20 0.36
PDGFRB P09619 2/20 0.36
CSF1R P07333 2/20 0.36
SRC P12931 2/20 0.36
FLT1 P17948 2/20 0.36

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
SCHEMBL5203520 0.81 KIF11 (0.50) KDR
SCHEMBL5448863 0.81 TMPRSS4 (0.44) KDRSCN9ACYP2C9ALDH1A1LMNA
SCHEMBL5442935 0.80 RET (0.49) KDRSCN9ALMNAKITPDGFRB
SCHEMBL5444130 0.79 KDR (0.57) KDRRIPK1MAP4K4KITFLT3
SCHEMBL5449198 0.74 CDK8 (0.53) KDRRIPK1KITFLT3CSF1R
SCHEMBL5448871 0.73 TLR7 (0.38) KDRSCN9AALDH1A1LMNA
SCHEMBL5436578 0.73 KDR (0.64) KDRRIPK1ALDH1A1KITFLT3
SCHEMBL14410668 0.72 TMPRSS4 (0.43) KDRSCN9ACYP2C9ALDH1A1LMNA
SCHEMBL12391453 0.70 ALDH1A1 (0.49) IKBKBALDH1A1LMNA
SCHEMBL5445047 0.70 RAF1 (0.51) KDRPDGFRB

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
EP-1761503-A2 IMIDAZOL DERIVATIVES AS TYROSINE KINASE INHIBITORS MERCK PATENT GmbH (DE) 2007-03-14 EP disclosed
WO-2005097755-A2 IMIDAZOL DERIVATIVES AS TYROSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-10-20 WO disclosed