SCHEMBL6766744

SCHEMBL6766744

Cn1c(=O)c(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccccc3)n2)n1C1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.61
MAPK13 O15264 11/20 0.61
MAPK12 P53778 11/20 0.61
MAPK11 Q15759 11/20 0.61
KCNH2 Q12809 1/20 0.46
MKNK1 Q9BUB5 1/20 0.44
BRD4 O60885 2/20 0.43
BRD2 P25440 2/20 0.43
BRD3 Q15059 2/20 0.43
BRDT Q58F21 2/20 0.43

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
SCHEMBL6763952 0.96 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL6768619 0.93 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL6769365 0.92 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL6767240 0.91 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL6768682 0.90 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL6768667 0.89 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL6621254 0.85 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6621251 0.85 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6618659 0.82 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL6619056 0.82 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11

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