SCHEMBL5771210

SCHEMBL5771210

C=C1COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCC4CC4)n3)[nH]2)OC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.67
MAPK13 O15264 8/20 0.67
MAPK12 P53778 8/20 0.67
MAPK11 Q15759 8/20 0.67
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PRKCG P05129 1/20 0.48
FGFR1 P11362 1/20 0.48
MAPK1 P28482 1/20 0.48
FLT4 P35916 1/20 0.48
FRK P42685 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CSNK1G2 P78368 1/20 0.48
TAOK1 Q7L7X3 1/20 0.48
MINK1 Q8N4C8 1/20 0.48

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
SCHEMBL5772454 0.90 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL5773498 0.89 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL5767853 0.89 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5770705 0.88 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771227 0.88 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5767983 0.88 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770925 0.88 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770677 0.87 MAPK13 (0.78) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL5768167 0.87 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771427 0.87 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAPK9

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 3 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