SCHEMBL5771270

SCHEMBL5771270

COc1nccc(-c2[nH]c(C3OCCCO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.49
MAPK13 O15264 8/20 0.49
MAPK12 P53778 8/20 0.49
MAPK11 Q15759 8/20 0.49
PRKD3 O94806 2/20 0.47
MAP4K4 O95819 2/20 0.47
PRKCA P17252 2/20 0.47
CSNK1A1 P48729 2/20 0.47
CSNK1D P48730 2/20 0.47
MINK1 Q8N4C8 2/20 0.47
MAP4K5 Q9Y4K4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
EGFR P00533 1/20 0.47
RAF1 P04049 1/20 0.47
CYP1A2 P05177 1/20 0.47
LCK P06239 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
FRK P42685 1/20 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
SCHEMBL5770958 0.89 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768828 0.89 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773629 0.88 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768610 0.88 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL5773547 0.88 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL5771091 0.87 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769967 0.86 MAPK13 (0.44) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5767390 0.86 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768483 0.86 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL5771172 0.86 MAPK14 (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO disclosed