SCHEMBL19771659

SCHEMBL19771659

CN1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CC4CCC(C4)C3)n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.71
▸ DLK1 P80370 1/20 0.58

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
SCHEMBL22239451 0.89 MAP3K12 (0.84) MAP3K12DLK1
SCHEMBL16220233 0.88 MAP3K12 (0.84) MAP3K12
SCHEMBL16220084 0.87 MAP3K12 (0.91) MAP3K12DLK1
SCHEMBL19771475 0.86 MAP3K12 (0.81) MAP3K12DLK1
SCHEMBL16220075 0.85 MAP3K12 (0.85) MAP3K12
SCHEMBL16220371 0.83 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL16220488 0.83 MAP3K12 (0.77) MAP3K12
SCHEMBL16220491 0.83 MAP3K12 (1.00) MAP3K12
SCHEMBL16220367 0.82 MAP3K12 (1.00) MAP3K12
SCHEMBL16220486 0.82 MAP3K12 (1.00) 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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