SCHEMBL13693261

SCHEMBL13693261

COc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccnc(NC3C=C(C(F)(F)F)C=CC3)n2)cnc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.36
MAPK14 Q16539 13/20 0.36
CSNK1D P48730 3/20 0.35
JAK3 P52333 1/20 0.35
MAPK13 O15264 5/20 0.35
MAPK12 P53778 5/20 0.35
MAPK11 Q15759 5/20 0.35
MAPK9 P45984 3/20 0.35
RAF1 P04049 2/20 0.35
FYN P06241 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX5 P09917 2/20 0.33
GCGR P47871 2/20 0.33
CSNK1A1 P48729 1/20 0.33

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
SCHEMBL13693257 0.92 MAPK14 (0.38) BRAFMAPK14CSNK1DJAK3MAPK13
SCHEMBL69405 0.79 BRAF (0.44) BRAFMAPK14CSNK1DJAK3MAPK13
SCHEMBL69317 0.78 EIF2AK2 (0.43) MAPK14MAPK9KDM4EALDH1A1MAPT
SCHEMBL69361 0.77 GSK3B (0.48) MAPK14
SCHEMBL67437 0.77 MAPK14 (0.53) BRAFMAPK14CSNK1DJAK3MAPK13
SCHEMBL67602 0.77 MAPK14 (0.52) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL68164 0.77 MAPK14 (0.44) MAPK14MAPK9KDM4EALDH1A1MAPT
SCHEMBL69049 0.77 PIK3CG (0.52) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL69636 0.77 BRAF (0.52) BRAFMAPK14CSNK1DJAK3MAPK13
SCHEMBL13693370 0.76 BRAF (0.51) BRAFMAPK14CSNK1DJAK3MAPK13

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