SCHEMBL28986331

SCHEMBL28986331

CC(O)(C#Cc1cc(-n2cnc3cnc(N)nc32)ccn1)c1nccs1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 20/20 0.76

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
SCHEMBL28986300 0.86 MAP3K14 (0.76) MAP3K14
SCHEMBL30219572 0.86 MAP3K14 (0.76) MAP3K14
SCHEMBL30219611 0.86 MAP3K14 (1.00) MAP3K14
SCHEMBL26268456 0.86 MAP3K14 (1.00) MAP3K14
SCHEMBL26269535 0.86 MAP3K14 (1.00) MAP3K14
SCHEMBL30219619 0.85 MAP3K14 (0.77) MAP3K14
SCHEMBL28986281 0.85 MAP3K14 (0.77) MAP3K14
SCHEMBL28986294 0.75 MAP3K14 (1.00) MAP3K14
SCHEMBL30219534 0.75 MAP3K14 (1.00) MAP3K14
SCHEMBL30219635 0.74 MAP3K14 (0.77) MAP3K14

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
CN-109810110-B Compound with 2-aminopyrimidine structure, preparation method and application thereof 中国科学院上海药物研究所 2023-01-24 CN disclosed