SCHEMBL6075437

SCHEMBL6075437

CC1COC(c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)OC1N

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 2/20 0.59
CSNK1D P48730 2/20 0.59
RPS6KA3 P51812 1/20 0.59
MAPK13 O15264 14/20 0.56
MAPK12 P53778 14/20 0.56
MAPK11 Q15759 14/20 0.56
MAPK14 Q16539 14/20 0.56
MAPK9 P45984 4/20 0.56
RAF1 P04049 3/20 0.56
GCGR P47871 6/20 0.50
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
FRK P42685 1/20 0.49
GSK3B P49841 1/20 0.49
PTK6 Q13882 1/20 0.49
PRKD2 Q9BZL6 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
BRAF P15056 1/20 0.48
ALOX5 P09917 3/20 0.47

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
SCHEMBL5771436 0.86 CSNK1D (0.67) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL5769743 0.82 CSNK1A1 (0.64) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL5771330 0.81 CSNK1A1 (0.64) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL6911991 0.81 CSNK1A1 (0.57) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL6075170 0.81 MAPK13 (0.67) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL6075600 0.81 MAPK14 (0.51) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL27518737 0.80 CSNK1A1 (0.61) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL5769549 0.79 MAPK13 (0.66) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL5772456 0.79 MAPK13 (0.65) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL5768771 0.79 MAPK13 (0.65) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12

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-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US claimed