SCHEMBL28305396

SCHEMBL28305396

Nc1ncc(-c2cc(OC(=O)N3CCCCC3)nc(Cl)n2)cc1OC(F)F

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.49

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
SCHEMBL16224393 0.75 MAP3K12 (0.53) MAP3K12
SCHEMBL16212144 0.74 MAP3K12 (0.53) MAP3K12
SCHEMBL20147248 0.74 MAP3K12 (0.57) MAP3K12
SCHEMBL16211734 0.71 MAP3K12 (0.51) MAP3K12
SCHEMBL22098504 0.71 MAP3K12 (0.64) MAP3K12
SCHEMBL16211762 0.67 MAP3K12 (0.75) MAP3K12
SCHEMBL17510332 0.67 MAP3K12 (0.78) MAP3K12
SCHEMBL31674898 0.66 MAP3K12 (1.00) MAP3K12
SCHEMBL16224420 0.66 MAP3K12 (1.00) MAP3K12
SCHEMBL16224474 0.66 MAP3K12 (0.65) MAP3K12

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-110003178-A Two heteroaryl compounds and application thereof 豪夫迈·罗氏有限公司 2019-07-12 CN disclosed