SCHEMBL21695285

SCHEMBL21695285

CC[C@H]1CN(c2cc(-c3cnc(N)c(C(F)(F)F)c3)nc(N3CC4CC3C4)n2)CCO1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.66

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
SCHEMBL21695323 0.88 MAP3K12 (0.68) MAP3K12
SCHEMBL21695271 0.88 MAP3K12 (0.65) MAP3K12
SCHEMBL20147795 0.88 MAP3K12 (0.64) MAP3K12
SCHEMBL21695270 0.86 MAP3K12 (0.67) MAP3K12
SCHEMBL21695301 0.86 MAP3K12 (0.66) MAP3K12
SCHEMBL21695284 0.85 MAP3K12 (0.77) MAP3K12
SCHEMBL20115345 0.84 MAP3K12 (0.59) MAP3K12
SCHEMBL21695266 0.81 MAP3K12 (0.70) MAP3K12
SCHEMBL22050896 0.81 MAP3K12 (0.74) MAP3K12
SCHEMBL16209931 0.80 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-RE47848-E1 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2020-02-11 US disclosed