SCHEMBL19771476

SCHEMBL19771476

CC(=O)N1CCCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N)n2)C1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.69
▸ DLK1 P80370 1/20 0.57

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
SCHEMBL16220310 0.90 MAP3K12 (0.82) MAP3K12
SCHEMBL16220311 0.90 MAP3K12 (0.82) MAP3K12
SCHEMBL16220229 0.90 MAP3K12 (0.86) MAP3K12
SCHEMBL19771678 0.90 MAP3K12 (0.73) MAP3K12DLK1
SCHEMBL16220222 0.88 MAP3K12 (0.77) MAP3K12DLK1
SCHEMBL16220383 0.86 MAP3K12 (0.90) MAP3K12
SCHEMBL16220390 0.86 MAP3K12 (0.78) MAP3K12
SCHEMBL16220227 0.85 MAP3K12 (0.85) MAP3K12DLK1
SCHEMBL16220474 0.85 MAP3K12 (0.83) MAP3K12DLK1
SCHEMBL16220239 0.85 MAP3K12 (0.83) 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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