SCHEMBL5756916

SCHEMBL5756916

CCn1cnc(-c2ccc(F)cc2)c1C(OC)OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.42
MAPK14 Q16539 9/20 0.42
MAPK13 O15264 7/20 0.42
MAPK12 P53778 7/20 0.42
MAPK11 Q15759 7/20 0.42
TGFBR2 P37173 3/20 0.41
TNIK Q9UKE5 1/20 0.38
MAP4K4 O95819 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38

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
SCHEMBL30022945 0.75 TGFBR1 (0.60) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL30787483 0.71 TGFBR1 (0.55) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4806744 0.67 CYP11B1 (0.53)
SCHEMBL20550895 0.64 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL30023059 0.64 PTGS2 (0.68) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL18041502 0.64 TGFBR1 (0.52) TGFBR1TGFBR2
SCHEMBL996389 0.63 MAPK14 (0.44) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23795643 0.63 MAPK14 (0.66) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4913956 0.63 MAPK14 (0.64) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL11175120 0.62 MAPK14 (0.59) TGFBR1MAPK14MAPK13MAPK12MAPK11

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
EP-1727541-A1 IMIDAZOLE-BASED HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-12-06 EP disclosed
WO-2005079790-A1 IMIDAZOLE-BASED HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-09-01 WO disclosed