SCHEMBL29950508

SCHEMBL29950508

Cn1ncc2c(Cl)nc(C(=O)Cl)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.43
GAA P10253 1/20 0.39
KMT2A Q03164 5/20 0.37
S1PR2 O95136 5/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 3/20 0.35
ATAD2 Q6PL18 1/20 0.35
NR3C1 P04150 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL27028464 1.00 PDE2A (0.43) PDE2AGAAKMT2AS1PR2KDM4E
SCHEMBL4918794 0.80 ALDH1A1 (0.44) GAAKMT2AKDM4EALDH1A1MAPT
SCHEMBL29950553 0.77 NR3C1 (0.36) PDE2AKMT2AKDM4EALDH1A1MAPT
SCHEMBL17889388 0.76 PDE2A (0.47) PDE2AGAAKMT2AKDM4EALDH1A1
SCHEMBL55774 0.75 PDE2A (0.64) PDE2AGAAKMT2AKDM4EALDH1A1
SCHEMBL18343699 0.74 PDE2A (0.49) PDE2AGAAKMT2AKDM4EALDH1A1
SCHEMBL21114478 0.74 PDE2A (0.43) PDE2AGAAKMT2AS1PR2KDM4E
SCHEMBL24954062 0.73 PDE2A (0.47) PDE2AGAAKMT2AKDM4EALDH1A1
SCHEMBL31106964 0.73 PDE2A (0.47) PDE2AGAAKMT2AKDM4EALDH1A1
SCHEMBL21282811 0.70 PDE2A (0.45) PDE2AGAAKMT2AKDM4EALDH1A1

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-4308563-A1 MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) Pfizer Inc. (US) 2024-01-24 EP disclosed
CN-117321055-A Modulators of STING (interferon gene stimulators) 辉瑞公司 2023-12-29 CN disclosed
WO-2022195462-A1 MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER INC. (US) 2022-09-22 WO disclosed