SCHEMBL6576577

SCHEMBL6576577

O[C@H]1CC[C@H](n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccc(F)cc3)n2)CC1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.91
MAPK13 O15264 3/20 0.67
CSNK1D P48730 3/20 0.67
MAPK12 P53778 3/20 0.67
MAPK11 Q15759 3/20 0.67
BRD4 O60885 2/20 0.67
BRDT Q58F21 2/20 0.67
EGFR P00533 2/20 0.67
PRKD3 O94806 2/20 0.67
MAP4K4 O95819 2/20 0.67
LCK P06239 2/20 0.67
MAPK9 P45984 2/20 0.67
CSNK1A1 P48729 2/20 0.67
MINK1 Q8N4C8 2/20 0.67
PRKD2 Q9BZL6 2/20 0.67
MAP4K5 Q9Y4K4 2/20 0.67
KDM4E B2RXH2 1/20 0.67
RAF1 P04049 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67

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
SCHEMBL6578983 1.00 MAPK14 (0.91) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL6578912 1.00 MAPK14 (0.91) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL6961445 0.95 MAPK14 (1.00) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL6961441 0.95 MAPK14 (1.00) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL24170876 0.89 MAPK14 (1.00) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL6576866 0.88 MAPK14 (0.71) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL6576865 0.88 MAPK14 (0.71) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL6794576 0.87 MAPK14 (0.85) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL6791353 0.86 MAPK14 (0.84) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL6581217 0.86 MAPK14 (0.73) MAPK14MAPK13CSNK1DMAPK12MAPK11

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
EP-0961618-B1 5-Pyrimidinyl-4-yl-Imidazole Derivate zur Behandlung von CSBP/RK/p38 vermittelten Erkrankungen SMITHKLINE BEECHAM CORP (US) 2004-08-04 EP claimed