SCHEMBL19771670

SCHEMBL19771670

O=C(C(F)F)N1CCCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CC4CCC(C4)C3)n2)C1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.77

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
SCHEMBL19771475 0.92 MAP3K12 (0.81) MAP3K12
SCHEMBL16220240 0.90 MAP3K12 (0.92) MAP3K12
SCHEMBL16220482 0.89 MAP3K12 (0.75) MAP3K12
SCHEMBL16220064 0.87 MAP3K12 (1.00) MAP3K12
SCHEMBL16220169 0.86 MAP3K12 (0.76) MAP3K12
SCHEMBL16220513 0.86 MAP3K12 (1.00) MAP3K12
SCHEMBL16220435 0.85 MAP3K12 (0.79) MAP3K12
SCHEMBL16220433 0.85 MAP3K12 (0.84) MAP3K12
SCHEMBL16220271 0.85 MAP3K12 (0.83) MAP3K12
SCHEMBL16220072 0.84 MAP3K12 (0.73) 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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