SCHEMBL21695280

SCHEMBL21695280

CC[C@H]1CN(c2cc(-c3cnc(N)nc3)nc(N3CCCC3)n2)CCO1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.60
PIK3CA P42336 1/20 0.60

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
SCHEMBL20147765 0.99 MAP3K12 (0.60) MAP3K12PIK3CA
SCHEMBL20115399 0.98 MAP3K12 (0.60) MAP3K12PIK3CA
SCHEMBL21695315 0.92 MAP3K12 (0.62) MAP3K12PIK3CA
SCHEMBL21695290 0.91 MAP3K12 (0.61) MAP3K12PIK3CA
SCHEMBL21695318 0.90 MAP3K12 (0.61) MAP3K12PIK3CA
SCHEMBL21695313 0.90 MAP3K12 (0.60) MAP3K12PIK3CA
SCHEMBL21695275 0.89 MAP3K12 (0.64) MAP3K12PIK3CA
SCHEMBL21695277 0.88 MAP3K12 (0.61) MAP3K12PIK3CA
SCHEMBL21695268 0.88 MAP3K12 (0.60) MAP3K12PIK3CA
SCHEMBL21695279 0.88 MAP3K12 (0.66) MAP3K12PIK3CA

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