SCHEMBL29471208

SCHEMBL29471208

COc1cc(N2CCNc3cc(-c4cnn(C)c4)c(C#N)cc32)c2cc(C)c(=O)n(C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.37
▸ FGFR1 P11362 3/20 0.35
▸ FGFR2 P21802 3/20 0.35
▸ FGFR3 P22607 3/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ CREBBP Q92793 4/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ KEAP1 Q14145 2/20 0.32
▸ RET P07949 1/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ RIPK3 Q9Y572 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ KCNJ5 P48544 1/20 0.31
▸ KCNJ3 P48549 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ MC4R P32245 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30

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
SCHEMBL24316692 1.00 ATM (0.37) ATMFGFR1FGFR2FGFR3USP30
SCHEMBL24316602 0.86 CREBBP (0.40) ATMFGFR1FGFR2FGFR3USP30
SCHEMBL29471215 0.86 CREBBP (0.40) ATMFGFR1FGFR2FGFR3USP30
SCHEMBL26548319 0.84 ATM (0.36) ATMFGFR1FGFR2FGFR3USP30
SCHEMBL29471235 0.83 USP30 (0.39) ATMFGFR1FGFR2FGFR3USP30
SCHEMBL24316769 0.83 FGFR1 (0.38) ATMFGFR1FGFR2FGFR3USP30
SCHEMBL24316691 0.83 USP30 (0.39) ATMFGFR1FGFR2FGFR3USP30
SCHEMBL24317125 0.82 USP30 (0.38) ATMFGFR1FGFR2FGFR3USP30
SCHEMBL24316889 0.81 USP30 (0.38) ATMFGFR1FGFR2FGFR3USP30
SCHEMBL24316782 0.80 RET (0.39) ATMFGFR1FGFR2FGFR3USP30

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4210683-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS Aurigene Oncology Limited (IN) 2023-07-19 — — EP disclosed
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
WO-2022053967-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-03-17 — — WO disclosed
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