SCHEMBL28301665

SCHEMBL28301665

CN(C)c1ccc(-n2ccc3cncnc32)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MKNK2 Q9HBH9 10/20 0.55
▸ MKNK1 Q9BUB5 2/20 0.47
▸ EGFR P00533 2/20 0.35
▸ IRAK4 Q9NWZ3 5/20 0.34
▸ MAPKAPK2 P49137 1/20 0.33
▸ RPS6KA5 O75582 1/20 0.32

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
SCHEMBL30219527 0.81 MAPKAPK2 (0.53) MAPKAPK2
SCHEMBL28986210 0.81 MAPKAPK2 (0.53) MAPKAPK2
SCHEMBL28303127 0.76 MKNK2 (0.60) MKNK2MKNK1IRAK4MAPKAPK2RPS6KA5
SCHEMBL28303123 0.74 MKNK2 (0.58) MKNK2MKNK1IRAK4
SCHEMBL18789209 0.71 MKNK2 (1.00) MKNK2MKNK1
SCHEMBL30099082 0.70 MKNK2 (0.59) MKNK2MKNK1EGFRIRAK4
SCHEMBL8801410 0.70 MKNK2 (0.59) MKNK2MKNK1EGFRIRAK4
SCHEMBL23412407 0.69 MKNK2 (0.62) MKNK2MKNK1MAPKAPK2
SCHEMBL30093014 0.69 MKNK2 (0.62) MKNK2MKNK1MAPKAPK2
SCHEMBL23413110 0.69 MKNK2 (0.58) MKNK2MKNK1EGFRMAPKAPK2

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-A A kind of compound with 2- aminopyrimidine structure, preparation method and use 中国科学院上海药物研究所 2019-05-28 — — CN disclosed
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