SCHEMBL6578749

SCHEMBL6578749

O[C@H]1CC[C@H](n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccc(F)cc3Cl)n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.71
BRD4 O60885 3/20 0.60
MAPK13 O15264 3/20 0.60
CSNK1D P48730 3/20 0.60
MAPK12 P53778 3/20 0.60
MAPK11 Q15759 3/20 0.60
BRDT Q58F21 2/20 0.60
EGFR P00533 2/20 0.60
PRKD3 O94806 2/20 0.60
MAP4K4 O95819 2/20 0.60
LCK P06239 2/20 0.60
MAPK9 P45984 2/20 0.60
CSNK1A1 P48729 2/20 0.60
MINK1 Q8N4C8 2/20 0.60
PRKD2 Q9BZL6 2/20 0.60
MAP4K5 Q9Y4K4 2/20 0.60
BRD2 P25440 1/20 0.60
BRD3 Q15059 1/20 0.60
KDM4E B2RXH2 1/20 0.60
RAF1 P04049 1/20 0.60

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
SCHEMBL6576633 1.00 MAPK14 (0.71) MAPK14BRD4MAPK13CSNK1DMAPK12
SCHEMBL6576637 1.00 MAPK14 (0.71) MAPK14BRD4MAPK13CSNK1DMAPK12
SCHEMBL6577223 0.90 MAPK14 (0.74) MAPK14BRD4MAPK13CSNK1DMAPK12
SCHEMBL6576883 0.89 MAPK14 (0.73) MAPK14BRD4MAPK13CSNK1DMAPK12
SCHEMBL6576882 0.89 MAPK14 (0.73) MAPK14BRD4MAPK13CSNK1DMAPK12
SCHEMBL6579065 0.89 MAPK14 (0.73) MAPK14BRD4MAPK13CSNK1DMAPK12
SCHEMBL6579817 0.89 MAPK14 (0.60) MAPK14BRD4MAPK13CSNK1DMAPK12
SCHEMBL6577075 0.89 MAPK14 (0.60) MAPK14BRD4MAPK13CSNK1DMAPK12
SCHEMBL6581927 0.89 MAPK14 (0.60) MAPK14BRD4MAPK13CSNK1DMAPK12
SCHEMBL6581217 0.88 MAPK14 (0.73) MAPK14BRD4MAPK13CSNK1DMAPK12

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