SCHEMBL29467448

SCHEMBL29467448

Cn1ncc2c(Cl)cc(Cl)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.49
KMT2A Q03164 7/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 5/20 0.41
HCRTR1 O43613 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
S1PR2 O95136 3/20 0.40
PI4KA P42356 1/20 0.38

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
SCHEMBL561004 1.00 PDE2A (0.49) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL29882527 0.83 PDE2A (0.47) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL29133371 0.83 PDE2A (0.47) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL23580347 0.83 PDE2A (0.47) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL31749126 0.81 PDE2A (0.46) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL31749125 0.81 PDE2A (0.46) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL15017325 0.79 PDE2A (0.45) PDE2AKMT2AMEN1HCRTR1CYP1A2
SCHEMBL30667889 0.79 PDE2A (0.44) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL26659504 0.78 ADORA3 (0.43) KMT2AMAPTALDH1A1NPSR1MEN1
SCHEMBL15016767 0.78 S1PR2 (0.44) PDE2AKMT2AKDM4EMAPTALDH1A1

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
WO-2025264959-A1 SUBSTITUTED PYRAZOLOPYRIDINES AS PHOSPHOINOSIDIDE KINASE (PIK) MODULATORS RECURSION PHARMACEUTICALS, INC. (US) 2025-12-26 WO disclosed
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 CN disclosed
CN-114315839-A Pyrimidinedione compounds and use thereof 武汉人福创新药物研发中心有限公司 2022-04-12 CN disclosed