SCHEMBL6766739

SCHEMBL6766739

CN(c1ccccc1)c1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2C2CCNCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.42
PRKD3 O94806 2/20 0.41
MAP4K4 O95819 2/20 0.41
PRKACA P17612 2/20 0.41
CSNK1A1 P48729 2/20 0.41
CSNK1D P48730 2/20 0.41
MINK1 Q8N4C8 2/20 0.41
MAP4K5 Q9Y4K4 2/20 0.41
HSPB1 P04792 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
MAPK11 Q15759 4/20 0.41
BRDT Q58F21 1/20 0.41
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
RIPK2 O43353 1/20 0.41
DYRK3 O43781 1/20 0.41
PRKCG P05129 1/20 0.41
LCK P06239 1/20 0.41
LYN P07948 1/20 0.41

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
SCHEMBL6763950 0.96 MAPK14 (0.42) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL6768614 0.93 MAPK14 (0.44) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL6769364 0.92 MAPK14 (0.43) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL6767235 0.90 MAPK14 (0.41) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL6768676 0.90 MAPK14 (0.42) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL6768661 0.88 MAPK14 (0.42) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL6768641 0.87 ACACB (0.39) MAPK14PRKD3MAP4K4CSNK1A1CSNK1D
SCHEMBL6768364 0.83 MAPK14 (0.63) MAPK14BRDTBRD4
SCHEMBL6766904 0.82 PRKD3 (0.41) MAPK14PRKD3MAP4K4CSNK1A1CSNK1D
SCHEMBL6766744 0.81 MAPK14 (0.61) MAPK14MAPK11BRDTMAPK13MAPK12

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