SCHEMBL19771657

SCHEMBL19771657

FCCN(CCF)c1nc(Nc2cc(C(F)(F)F)ccn2)cc(C2CCNC2)n1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 18/20 0.73
▸ DLK1 P80370 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ SYK P43405 1/20 0.44

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
SCHEMBL16220346 0.84 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL22239459 0.80 MAP3K12 (0.74) MAP3K12DLK1MAPK1SYK
SCHEMBL16220347 0.80 MAP3K12 (0.91) MAP3K12DLK1SYK
SCHEMBL16220349 0.79 MAP3K12 (0.90) MAP3K12
SCHEMBL16220122 0.77 MAP3K12 (1.00) MAP3K12
SCHEMBL19771662 0.77 MAP3K12 (0.52) MAP3K12SYK
SCHEMBL16220124 0.76 MAP3K12 (0.98) MAP3K12
SCHEMBL16220029 0.76 MAP3K12 (0.79) MAP3K12
SCHEMBL16220253 0.76 MAP3K12 (0.91) MAP3K12
SCHEMBL16220129 0.76 MAP3K12 (0.84) MAP3K12DLK1

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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