SCHEMBL28986300

SCHEMBL28986300

CC(O)(C#Cc1cccc(-n2cnc3cnc(N)nc32)c1)c1nccs1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 20/20 0.76
MAP4K4 O95819 1/20 0.50

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
SCHEMBL30219572 1.00 MAP3K14 (0.76) MAP3K14MAP4K4
SCHEMBL28986331 0.86 MAP3K14 (0.76) MAP3K14
SCHEMBL30219640 0.86 MAP3K14 (1.00) MAP3K14
SCHEMBL28986330 0.86 MAP3K14 (1.00) MAP3K14
SCHEMBL26269495 0.86 MAP3K14 (1.00) MAP3K14
SCHEMBL30219619 0.84 MAP3K14 (0.77) MAP3K14
SCHEMBL28986281 0.84 MAP3K14 (0.77) MAP3K14
SCHEMBL30219579 0.83 MAP3K14 (1.00) MAP3K14MAP4K4
SCHEMBL26268451 0.83 MAP3K14 (1.00) MAP3K14MAP4K4
SCHEMBL30219623 0.78 MAP3K14 (1.00) 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