SCHEMBL6576462

SCHEMBL6576462

COc1ccnc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.68
MAPK11 Q15759 5/20 0.68
CSNK1D P48730 4/20 0.68
MAPK13 O15264 4/20 0.68
MAPK12 P53778 4/20 0.68
PRKD3 O94806 3/20 0.68
MAP4K4 O95819 3/20 0.68
CSNK1A1 P48729 3/20 0.68
MINK1 Q8N4C8 3/20 0.68
MAP4K5 Q9Y4K4 3/20 0.68
PRKCA P17252 2/20 0.68
EGFR P00533 2/20 0.68
LCK P06239 2/20 0.68
MAPK9 P45984 2/20 0.68
PRKD2 Q9BZL6 2/20 0.68
KDM4E B2RXH2 1/20 0.68
RAF1 P04049 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68

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
SCHEMBL7771972 0.89 MAPK14 (0.61) MAPK14MAPK11CSNK1DMAPK13MAPK12
SCHEMBL2296427 0.84 MAPK14 (0.67) MAPK14MAPK11CSNK1DMAPK13MAPK12
SCHEMBL2296432 0.84 MAPK14 (0.67) MAPK14MAPK11CSNK1DMAPK13MAPK12
SCHEMBL4617697 0.83 MAPK14 (0.68) MAPK14MAPK11CSNK1DMAPK13MAPK12
SCHEMBL7773617 0.83 MAPK14 (0.49) MAPK14MAPK11CSNK1DMAPK13MAPK12
SCHEMBL30290594 0.81 MAPK14 (1.00) MAPK14MAPK11CSNK1DMAPK13MAPK12
SCHEMBL173596 0.81 MAPK14 (1.00) MAPK14MAPK11CSNK1DMAPK13MAPK12
SCHEMBL173595 0.81 MAPK14 (1.00) MAPK14MAPK11CSNK1DMAPK13MAPK12
SCHEMBL4918359 0.81 MAPK14 (1.00) MAPK14MAPK11CSNK1DMAPK13MAPK12
SCHEMBL13819570 0.78 MAPK14 (0.78) MAPK14MAPK11CSNK1DMAPK13MAPK12

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-0889726-B1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORP (US) 2004-09-15 EP claimed