SCHEMBL29847920

SCHEMBL29847920

CN(C)CCOc1ccnc(-c2cccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JUN P05412 5/20 0.48
▸ MAPK8 P45983 5/20 0.48
▸ MAPK10 P53779 5/20 0.48
▸ TTK P33981 1/20 0.48
▸ CDK4 P11802 4/20 0.46
▸ CCND1 P24385 4/20 0.46
▸ CDK1 P06493 3/20 0.46
▸ CCNB1 P14635 3/20 0.46
▸ CCNE1 P24864 3/20 0.46
▸ CDK2 P24941 3/20 0.46
▸ FGFR4 P22455 2/20 0.46
▸ JAK2 O60674 4/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ CCND2 P30279 1/20 0.43
▸ CCND3 P30281 1/20 0.43
▸ STAT6 P42226 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ BRD4 O60885 1/20 0.43

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
SCHEMBL16823087 1.00 JUN (0.48) JUNMAPK8MAPK10TTKCDK4
SCHEMBL16822852 0.91 FGFR2 (0.42) JUNMAPK8MAPK10TTKCDK4
SCHEMBL29847963 0.91 FGFR2 (0.42) JUNMAPK8MAPK10TTKCDK4
SCHEMBL16514869 0.91 CDK2 (0.47) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL29847537 0.91 CDK2 (0.47) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL16823029 0.89 JUN (0.49) JUNMAPK8MAPK10TTKCDK4
SCHEMBL16514481 0.89 MAPK10 (0.55) JUNMAPK8MAPK10TTKCDK4
SCHEMBL16823164 0.89 MAPK10 (0.49) JUNMAPK8MAPK10TTKCDK4
SCHEMBL28388525 0.87 TTK (0.47) JUNMAPK8MAPK10TTKCDK4
SCHEMBL16514357 0.87 MAPK10 (0.57) JUNMAPK8MAPK10TTKCDK4

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-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
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