SCHEMBL16665293

SCHEMBL16665293

C=CC(=O)Nc1ccccc1Nc1ccnc(Oc2cccc(Cl)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.52
MAPK8 P45983 1/20 0.52
GRM5 P41594 1/20 0.49
MAPK3 P27361 3/20 0.47
MAP2K7 O14733 1/20 0.46
EGFR P00533 9/20 0.44
FGFR4 P22455 2/20 0.43
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
BTK Q06187 2/20 0.41
ERBB2 P04626 1/20 0.41
ITK Q08881 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40

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
SCHEMBL16665283 0.86 EGFR (0.49) MAPK3EGFRFGFR4FGFR1FGFR2
SCHEMBL20554136 0.76 MAP2K7 (0.54) MAPK10MAPK8GRM5MAPK3MAP2K7
SCHEMBL30132615 0.76 MAP2K7 (0.54) MAPK10MAPK8GRM5MAPK3MAP2K7
SCHEMBL16665247 0.74 FGFR4 (0.48) GRM5MAPK3EGFRFGFR4FGFR1
SCHEMBL16665334 0.73 GCK (0.54) MAPK3EGFRFGFR4FGFR1FGFR2
SCHEMBL16665336 0.72 FGFR4 (0.55) MAPK3FGFR4FGFR1FGFR2FGFR3
SCHEMBL23899138 0.71 MAP2K7 (0.59) MAP2K7EGFRBTKITK
SCHEMBL20554484 0.71 BLK (0.44) MAP2K7EGFRFGFR4BTKPTPN1
SCHEMBL30132529 0.71 BLK (0.44) MAP2K7EGFRFGFR4BTKPTPN1
SCHEMBL691650 0.70 JAK3 (0.49) MAP2K7EGFRBTKERBB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed