SCHEMBL13693260

SCHEMBL13693260

COc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccnc(N)c2)cnc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.50
MAPK13 O15264 13/20 0.50
MAPK12 P53778 13/20 0.50
MAPK11 Q15759 13/20 0.50
GCGR P47871 12/20 0.50
ALOX5 P09917 7/20 0.50
PRKD3 O94806 2/20 0.46
MAP4K4 O95819 2/20 0.46
FRK P42685 2/20 0.46
MAPK9 P45984 2/20 0.46
CSNK1A1 P48729 2/20 0.46
CSNK1D P48730 2/20 0.46
GSK3B P49841 2/20 0.46
PRKD2 Q9BZL6 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
PTK6 Q13882 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL69591 0.92 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL67121 0.91 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL67192 0.90 MAPK11 (0.64) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL67680 0.90 SMPD3 (0.51) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL69575 0.88 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL67437 0.85 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL68110 0.83 FYN (0.46) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL67983 0.83 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL69109 0.82 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL85078 0.82 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11GCGR

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-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO disclosed