SCHEMBL6578729

SCHEMBL6578729

CCOc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(=O)CC2)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.79
PRKD3 O94806 2/20 0.65
MAP4K4 O95819 2/20 0.65
PRKCA P17252 2/20 0.65
CSNK1A1 P48729 2/20 0.65
CSNK1D P48730 2/20 0.65
MINK1 Q8N4C8 2/20 0.65
MAP4K5 Q9Y4K4 2/20 0.65
MAPK11 Q15759 2/20 0.65
KDM4E B2RXH2 1/20 0.65
MAPK13 O15264 1/20 0.65
EGFR P00533 1/20 0.65
RAF1 P04049 1/20 0.65
CYP1A2 P05177 1/20 0.65
LCK P06239 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
FRK P42685 1/20 0.65
MAPK9 P45984 1/20 0.65

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
SCHEMBL4915267 0.90 MAPK14 (0.80) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL8475537 0.90 MAPK14 (0.67) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL4586104 0.89 MAPK14 (0.69) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL4916783 0.89 MAPK14 (0.81) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL4916787 0.89 MAPK14 (0.81) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL4916756 0.88 MAPK14 (1.00) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL8473131 0.88 MAPK14 (0.65) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL4917194 0.87 MAPK14 (0.79) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL4912023 0.87 MAPK14 (0.64) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL6970476 0.85 MAPK14 (0.81) MAPK14BRDTBRD4

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 3 patents. 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 disclosed
US-6329526-B1 Cycloalkyl substituted imidazoles SMITHKLINE BEECHAM CORPORATION 2001-12-11 US disclosed
US-6251914-B1 TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-06-26 US disclosed