SCHEMBL5564280

SCHEMBL5564280

CN(CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)CCc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.83
MAPK13 O15264 17/20 0.83
MAPK12 P53778 17/20 0.83
MAPK11 Q15759 17/20 0.83
MAP4K4 O95819 2/20 0.60
MAPK9 P45984 2/20 0.60
CSNK1A1 P48729 2/20 0.60
CSNK1D P48730 2/20 0.60
MAP4K5 Q9Y4K4 2/20 0.60
CDC42BPA Q5VT25 1/20 0.60
AURKB Q96GD4 1/20 0.60
MAPK10 P53779 1/20 0.56
PRKD3 O94806 1/20 0.54
FRK P42685 1/20 0.54
GSK3B P49841 1/20 0.54
PRKD2 Q9BZL6 1/20 0.54

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
SCHEMBL4915616 0.91 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL1128151 0.87 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL1127929 0.87 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL27353309 0.82 MAPK14 (0.83) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL1387855 0.81 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL8860245 0.78 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4913405 0.78 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL27311897 0.78 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4907633 0.78 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL27353308 0.78 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11MAP4K4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244441-B2 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. (US) 2007-07-17 US disclosed
US-20050129729-A1 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. 2005-06-16 US disclosed