SCHEMBL6766899

SCHEMBL6766899

CCn1c(=O)c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)n1C1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.52
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42

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
SCHEMBL6766464 0.96 MAPK14 (0.47) MAPK14
SCHEMBL6768647 0.93 MAPK14 (0.50) MAPK14
SCHEMBL6763896 0.91 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6766432 0.90 MAPK14 (0.61) MAPK14
SCHEMBL6768583 0.90 MAPK14 (0.53) MAPK14
SCHEMBL6767032 0.86 MAPK14 (0.59) MAPK14
SCHEMBL6766589 0.85 MAPK14 (0.49) MAPK14
SCHEMBL6619656 0.85 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6763928 0.84 MAPK14 (0.61) MAPK14
SCHEMBL6773320 0.83 MAPK14 (0.62) MAPK14

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-6677337-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE, CACHEXIA, SEPTIC SHOCK, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2004-01-13 US claimed