SCHEMBL13693247

SCHEMBL13693247

COc1cc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2ccnc3c2CCN3)cnc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.42
FYN P06241 2/20 0.41
MAPK13 O15264 8/20 0.40
MAPK12 P53778 8/20 0.40
MAPK11 Q15759 8/20 0.40
GCGR P47871 7/20 0.40
ALOX5 P09917 4/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EGFR P00533 3/20 0.38
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
FRK P42685 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1A1 P48729 1/20 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
SCHEMBL69061 0.81 MAPK14 (0.49) MAPK14FYNMAPK13MAPK12MAPK11
SCHEMBL67644 0.80 MAPK14 (0.49) MAPK14FYNMAPK13MAPK12MAPK11
SCHEMBL67604 0.79 MAPK14 (0.57) MAPK14FYNMAPK13MAPK12MAPK11
SCHEMBL69591 0.78 MAPK14 (0.51) MAPK14FYNMAPK13MAPK12MAPK11
SCHEMBL13693260 0.78 MAPK14 (0.50) MAPK14FYNMAPK13MAPK12MAPK11
SCHEMBL67192 0.78 MAPK11 (0.64) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL67132 0.78 FYN (0.44) MAPK14FYNMAPK13MAPK12MAPK11
SCHEMBL67121 0.78 MAPK14 (0.56) MAPK14FYNMAPK13MAPK12MAPK11
SCHEMBL68110 0.78 FYN (0.46) MAPK14FYNMAPK13MAPK12MAPK11
SCHEMBL69109 0.77 MAPK14 (0.46) MAPK14FYNMAPK13MAPK12MAPK11

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