SCHEMBL29848014

SCHEMBL29848014

Fc1ccccc1-c1cccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc12

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JUN P05412 5/20 0.62
▸ MAPK8 P45983 5/20 0.62
▸ MAPK10 P53779 5/20 0.62
▸ SYK P43405 1/20 0.60
▸ STAT6 P42226 5/20 0.60
▸ AURKA O14965 1/20 0.56
▸ AURKB Q96GD4 1/20 0.56
▸ RIPK2 O43353 1/20 0.55
▸ TTK P33981 1/20 0.55
▸ PLK4 O00444 2/20 0.54
▸ IGF1R P08069 1/20 0.53
▸ CCNE1 P24864 3/20 0.53
▸ CDK2 P24941 3/20 0.53
▸ CDK1 P06493 2/20 0.53
▸ CDK4 P11802 2/20 0.53
▸ CCNB1 P14635 2/20 0.53
▸ CCND1 P24385 2/20 0.53
▸ CCNT1 O60563 1/20 0.52
▸ CDK9 P50750 1/20 0.52

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
SCHEMBL16514379 1.00 JUN (0.62) JUNMAPK8MAPK10SYKSTAT6
SCHEMBL16513981 0.92 SYK (0.60) JUNMAPK8MAPK10SYKSTAT6
SCHEMBL16513535 0.90 SYK (0.56) JUNMAPK8MAPK10SYKSTAT6
SCHEMBL29847981 0.90 SYK (0.58) JUNMAPK8MAPK10SYKSTAT6
SCHEMBL16514074 0.90 SYK (0.58) JUNMAPK8MAPK10SYKSTAT6
SCHEMBL16515124 0.89 MAPK10 (0.52) JUNMAPK8MAPK10SYKSTAT6
SCHEMBL29848435 0.89 MAPK10 (0.52) JUNMAPK8MAPK10SYKSTAT6
SCHEMBL16514148 0.88 WEE1 (0.55) JUNMAPK8MAPK10STAT6CCNE1
SCHEMBL29847505 0.88 WEE1 (0.55) JUNMAPK8MAPK10STAT6CCNE1
SCHEMBL16513491 0.88 SYK (0.58) JUNMAPK8MAPK10SYKSTAT6

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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