SCHEMBL29216072

SCHEMBL29216072

Cc1cnc(C(=O)/C=C/N(C)C)cc1-n1c(C)cc(OCc2ncc(C3CC3)cc2F)c(Cl)c1=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 20/20 0.48
MAPK14 Q16539 19/20 0.48
MAPK1 P28482 18/20 0.48
MAPKAPK2 P49137 1/20 0.46

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
SCHEMBL24461494 0.90 MAPKAPK5 (0.58) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL29216076 0.90 MAPKAPK5 (0.58) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL25751357 0.90 MAPKAPK5 (0.56) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL29216058 0.89 MAPKAPK5 (0.50) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL29215965 0.88 MAPKAPK5 (0.54) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL29963138 0.87 MAPKAPK5 (0.50) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL24759493 0.87 MAPKAPK5 (0.50) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL29216049 0.87 MAPKAPK5 (0.47) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL25783514 0.85 MAPKAPK5 (0.56) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL29216061 0.84 MAPKAPK5 (0.50) MAPKAPK5MAPK14MAPK1MAPKAPK2

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
CN-116444493-A Derivative containing double parallel rings, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-07-18 CN disclosed