SCHEMBL30480849

SCHEMBL30480849

Cc1cc2c(N3CCN(C)c4cc(-c5cnn(C)c5)c(C#N)cc43)cc(OCC(=O)O)cc2n(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ RET P07949 13/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.33
▸ FGFR3 P22607 1/20 0.33

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
SCHEMBL26113389 1.00 CREBBP (0.36) CREBBPUSP30PDK2RETATM
SCHEMBL29471289 0.94 RET (0.36) CREBBPUSP30PDK2RET
SCHEMBL26108147 0.91 CREBBP (0.37) CREBBPUSP30PDK2RETATM
SCHEMBL29471231 0.91 CREBBP (0.37) CREBBPUSP30PDK2RETATM
SCHEMBL24316581 0.91 RET (0.36) CREBBPUSP30RET
SCHEMBL29471251 0.91 RET (0.36) CREBBPUSP30RET
SCHEMBL24316600 0.89 CREBBP (0.37) CREBBPUSP30RETATM
SCHEMBL24316602 0.88 CREBBP (0.40) CREBBPUSP30ATMPIK3CDFGFR3
SCHEMBL29471215 0.88 CREBBP (0.40) CREBBPUSP30ATMPIK3CDFGFR3
SCHEMBL29029078 0.88 RET (0.35) CREBBPUSP30RET

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-116368128-A Heterocyclic compounds as CBP/EP300 bromodomain inhibitors 奥瑞基尼肿瘤有限公司 2023-06-30 — — CN disclosed
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