SCHEMBL6578849

SCHEMBL6578849

CC(C)Sc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](O)CC2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.68
CSNK1D P48730 4/20 0.68
MAPK13 O15264 3/20 0.68
MAPK12 P53778 3/20 0.68
MAPK11 Q15759 3/20 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
EGFR P00533 2/20 0.68
LCK P06239 2/20 0.68
MAPK9 P45984 2/20 0.68
PRKD2 Q9BZL6 2/20 0.68
PRKCA P17252 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
SCHEMBL6949303 0.90 MAPK14 (0.56) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4908397 0.89 MAPK14 (0.72) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4908399 0.89 MAPK14 (0.72) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL6578852 0.85 MAPK14 (0.66) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4917980 0.82 MAPK14 (0.81) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL7772152 0.82 MAPK14 (0.82) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4912960 0.81 MAPK14 (1.00) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL24170876 0.81 MAPK14 (1.00) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL173596 0.81 MAPK14 (1.00) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL30290594 0.81 MAPK14 (1.00) MAPK14CSNK1DMAPK13MAPK12MAPK11

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