SCHEMBL29600545

SCHEMBL29600545

c1cc2nnccc2cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
DYRK1A Q13627 1/20 0.40
KDM4E B2RXH2 3/20 0.34
HTT P42858 2/20 0.34
PRKCZ Q05513 1/20 0.34
POLB P06746 1/20 0.34
RAD52 P43351 1/20 0.34
NCOA3 Q9Y6Q9 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NCOA1 Q15788 1/20 0.33
HIPK2 Q9H2X6 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
SCHEMBL88806 1.00 CLK1 (0.40) CLK1CSNK1DCSNK1EDYRK1AKDM4E
SCHEMBL29600021 0.83 CLK1 (0.37) CLK1CSNK1DCSNK1EDYRK1AKDM4E
SCHEMBL12460 0.83 CLK1 (0.37) CLK1CSNK1DCSNK1EDYRK1AKDM4E
Isoquinoline SCHEMBL7076555 0.81 EGFR (0.39) CLK1CSNK1DCSNK1EDYRK1AKDM4E
SCHEMBL24987044 0.76 MAP4K4 (0.48) CLK1CSNK1DCSNK1EDYRK1AKDM4E
SCHEMBL6120009 0.75 LOXL2 (0.31)
Isoquinoline SCHEMBL6529066 0.74 ALDH1A1 (0.55) CLK1CSNK1DCSNK1EDYRK1AKDM4E
SCHEMBL1284991 0.74 PDE3B (0.35) CLK1CSNK1DCSNK1EDYRK1AKDM4E
SCHEMBL29599750 0.74 PDE3B (0.35) CLK1CSNK1DCSNK1EDYRK1AKDM4E
SCHEMBL18099782 0.74 IMPDH2 (0.43) CLK1CSNK1DDYRK1AKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4508052-A1 NOVEL SEVEN-MEMBERED RING-FUSED COMPOUNDS PRISM BioLab Co., Ltd. (JP) 2025-02-19 EP disclosed
CN-119013278-A Novel seven-membered ring fused compounds 株式会社棱镜生物实验室 2024-11-22 CN disclosed
CN-110740996-B Covalent small molecule DCN1 inhibitors and methods of treatment using the same 密执安大学评议会 2024-01-09 CN disclosed
EP-4281456-A1 NOVEL BICYCLIC COMPOUNDS PRISM BioLab Co., Ltd. (JP) 2023-11-29 EP disclosed
WO-2023200017-A1 NOVEL SEVEN-MEMBERED RING-FUSED COMPOUNDS Prism BioLab Co., Ltd. (JP) 2023-10-19 WO disclosed
EP-4225760-A1 NOVEL BICYCLIC COMPOUNDS PRISM BioLab Co., Ltd. (JP) 2023-08-16 EP disclosed
WO-2023140369-A1 PHOSPHORIC ACID DERIVATIVES Prism BioLab Co., Ltd. (JP) 2023-07-27 WO disclosed
CN-116348119-A Novel bicyclic compounds 株式会社棱镜生物实验室 2023-06-27 CN disclosed
CN-116018345-A Novel heterocyclic compounds 株式会社棱镜生物实验室 2023-04-25 CN disclosed
WO-2022158610-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2022-07-28 WO disclosed
WO-2022075486-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2022-04-14 WO disclosed