SCHEMBL29471144

SCHEMBL29471144

COc1ccc(CN2CCN(c3cc(OC)cc4c3cc(C)c(=O)n4C)c3cc(C#N)c(-c4cnn(C)c4)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 5/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TYMS P04818 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ PKLR P30613 1/20 0.34
▸ BRD4 O60885 3/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MET P08581 1/20 0.33
▸ PDE1A P54750 2/20 0.33
▸ PDE1B Q01064 2/20 0.33
▸ PDE1C Q14123 2/20 0.33
▸ USP30 Q70CQ3 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
SCHEMBL24316782 1.00 RET (0.39) RETKDM4EALDH1A1TYMSATM
SCHEMBL26548337 0.89 RET (0.38) RETKDM4EALDH1A1TYMSBRD4
SCHEMBL29471215 0.87 CREBBP (0.40) ATMFGFR1FGFR2FGFR3USP30
SCHEMBL24316602 0.87 CREBBP (0.40) ATMFGFR1FGFR2FGFR3USP30
SCHEMBL30480852 0.86 FGFR2 (0.36) RETKDM4EATMBRD4FGFR1
SCHEMBL24316892 0.86 FGFR2 (0.36) RETKDM4EATMBRD4FGFR1
SCHEMBL24316769 0.84 FGFR1 (0.38) RETATMFGFR1FGFR2FGFR3
SCHEMBL29471235 0.84 USP30 (0.39) RETATMBRD4FGFR1FGFR2
SCHEMBL24316691 0.84 USP30 (0.39) RETATMBRD4FGFR1FGFR2
SCHEMBL26548319 0.83 ATM (0.36) RETATMFGFR1FGFR2FGFR3

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
Send feedback