SCHEMBL8860433

SCHEMBL8860433

CCC(N1CCCC1)n1cnc(-c2ccncc2)c1-c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.62
MAPK13 O15264 18/20 0.62
MAPK12 P53778 18/20 0.62
MAPK11 Q15759 18/20 0.62
MAP4K4 O95819 1/20 0.46
MAPK9 P45984 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
CDC42BPA Q5VT25 1/20 0.46
AURKB Q96GD4 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46

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
SCHEMBL8860439 0.99 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL8860264 0.90 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL8860326 0.78 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4587383 0.78 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL6583564 0.76 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL6585407 0.76 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4915403 0.76 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL8860479 0.75 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL8860478 0.73 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7607069 0.72 MAPK14 (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670527-A CYTOKINE INHIBITORS USEFUL IN TREATING ASTHMA, OSTEOPOROSIS, ARTHRITIS, INFLAMMATION, SEPSIS, CARDIOVASCULAR DISORDERS, DIABETES, MULTIPLE SCLEROSIS, SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-23 US disclosed