SCHEMBL19771669

SCHEMBL19771669

CCC1COCN1c1nc(Nc2cc(C(F)(F)F)ccn2)cc(C2CCN(C)C2)n1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.69

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
SCHEMBL16220442 0.82 MAP3K12 (1.00) MAP3K12
SCHEMBL16220293 0.81 MAP3K12 (1.00) MAP3K12
SCHEMBL16220368 0.81 MAP3K12 (0.89) MAP3K12
SCHEMBL16220488 0.80 MAP3K12 (0.77) MAP3K12
SCHEMBL16220437 0.79 MAP3K12 (0.92) MAP3K12
SCHEMBL16220069 0.79 MAP3K12 (0.94) MAP3K12
SCHEMBL16220491 0.78 MAP3K12 (1.00) MAP3K12
SCHEMBL16220228 0.77 MAP3K12 (0.90) MAP3K12
SCHEMBL16220369 0.77 MAP3K12 (0.92) MAP3K12
SCHEMBL16220490 0.77 MAP3K12 (0.71) 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
US-9868720-B2 C-linked heterocycloaklyl substituted pyrimidines and their uses GENENTECH, INC. (US) 2018-01-16 — — US disclosed
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