SCHEMBL30219527

SCHEMBL30219527

CN(C)c1ccc(-n2ccc3cnc(N)nc32)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.53
▸ MAP3K14 Q99558 19/20 0.42

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
SCHEMBL28986210 1.00 MAPKAPK2 (0.53) MAPKAPK2MAP3K14
SCHEMBL28986278 0.83 MAPKAPK2 (0.56) MAPKAPK2MAP3K14
SCHEMBL30219552 0.83 MAPKAPK2 (0.56) MAPKAPK2MAP3K14
SCHEMBL28301665 0.81 MKNK2 (0.55) MAPKAPK2
SCHEMBL28986263 0.81 MAPKAPK2 (0.56) MAPKAPK2MAP3K14
SCHEMBL30219632 0.81 MAPKAPK2 (0.56) MAPKAPK2MAP3K14
SCHEMBL30219565 0.80 MAPKAPK2 (0.48) MAPKAPK2MAP3K14
SCHEMBL28986237 0.80 MAPKAPK2 (0.53) MAPKAPK2MAP3K14
SCHEMBL30219596 0.80 MAPKAPK2 (0.53) MAPKAPK2MAP3K14
SCHEMBL28986246 0.77 MAPKAPK2 (0.57) MAPKAPK2MAP3K14

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
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