SCHEMBL14092862

SCHEMBL14092862

C=C(Nc1ncc(C(=O)O)s1)c1cc(OC(C)C)cc(/C(N)=C\C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.37
▸ CCNE1 P24864 4/20 0.35
▸ CDK2 P24941 4/20 0.35
▸ CDK5 Q00535 4/20 0.35
▸ GCK P35557 10/20 0.35
▸ RARA P10276 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ MAPK14 Q16539 2/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ CSNK2A2 P19784 2/20 0.33
▸ CSNK2A1 P68400 2/20 0.33

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
SCHEMBL14546873 0.86 FFAR2 (0.40) FFAR2CCNE1CDK2CDK5GCK
SCHEMBL14191883 0.84 FFAR2 (0.41) FFAR2CCNE1CDK2CDK5GCK
SCHEMBL13703963 0.82 GCK (0.39) FFAR2CCNE1CDK2CDK5GCK
SCHEMBL13678510 0.80 GCK (0.40) FFAR2GCKRARARARBRARG
SCHEMBL2664723 0.78 GCK (0.51) GCKRARARARBRARGCSNK2A2
SCHEMBL1793200 0.75 GCK (0.44) FFAR2CCNE1CDK2CDK5GCK
SCHEMBL14546724 0.75 GCK (0.62) FFAR2GCKRARARARBRARG
SCHEMBL2664562 0.73 GCK (0.46) FFAR2CCNE1CDK2CDK5GCK
SCHEMBL2664563 0.73 GCK (0.46) CCNE1CDK2CDK5GCKRARA
SCHEMBL2666315 0.72 GCK (0.40) FFAR2GCKRARARARBRARG

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
EP-1661568-B1 Compounds effecting Glucokinase ASTRAZENECA AB (SE) 2008-09-03 — — EP disclosed
Send feedback