SCHEMBL29029078

SCHEMBL29029078

Cc1cc2c(N3CCN(C)c4cc(-c5cnn(C)c5)c(C#N)cc43)cc(OCCN3CCN(C(=O)O)CC3)cc2n(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 15/20 0.35
▸ GSK3B P49841 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CLK3 P49761 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34

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
SCHEMBL29471212 0.95 GRM4 (0.38) RETGSK3BDYRK1AGRM4CLK2
SCHEMBL24316690 0.95 GRM4 (0.38) RETGSK3BDYRK1AGRM4CLK2
SCHEMBL26112024 0.92 CREBBP (0.36) RETGSK3BDYRK1ACLK2CLK3
SCHEMBL29471232 0.92 RET (0.42) RET
SCHEMBL26548437 0.92 RET (0.42) RET
SCHEMBL24316580 0.90 RET (0.37) RETCREBBP
SCHEMBL29471231 0.89 CREBBP (0.37) RETCREBBPUSP30
SCHEMBL26108147 0.89 CREBBP (0.37) RETCREBBPUSP30
SCHEMBL30480849 0.88 CREBBP (0.36) RETCREBBPUSP30
SCHEMBL26113389 0.88 CREBBP (0.36) RETCREBBPUSP30

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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