SCHEMBL7147342

SCHEMBL7147342

CCCCCc1nc2ccccn2n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.46
GPR84 Q9NQS5 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
MAPT P10636 2/20 0.40
KCNH2 Q12809 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP11B2 P19099 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL18911313 0.88 PDE10A (0.49) PDE10AKDM4EALDH1A1HPGDJAK2
SCHEMBL11417905 0.83 PDE10A (0.45) PDE10AKDM4EALDH1A1LMNACYP1A2
SCHEMBL11413826 0.82 PDE10A (0.44) PDE10AKDM4EALDH1A1HPGDJAK2
SCHEMBL11410227 0.82 PDE10A (0.47) PDE10AKDM4EALDH1A1HPGDJAK2
SCHEMBL10271750 0.81 JAK2 (0.46) PDE10AKDM4EALDH1A1LMNAHPGD
SCHEMBL14352211 0.78 PDE10A (0.46) PDE10AKDM4EALDH1A1HPGDJAK2
SCHEMBL2717765 0.74 JAK2 (0.46) PDE10AKDM4EALDH1A1HPGDJAK2
SCHEMBL10277904 0.74 JAK2 (0.46) PDE10AKDM4EALDH1A1HPGDJAK2
SCHEMBL14736721 0.74 JAK2 (0.46) PDE10AKDM4EALDH1A1HPGDJAK2
SCHEMBL21835232 0.72 KDM4E (0.39) PDE10AKDM4EALDH1A1LMNACYP1A2

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-0972774-B1 2-Benzylthio-8-amino(1,2,4)triazolo(1,5-a)pyridines DOW AGROSCIENCES LLC (US) 2003-02-26 EP disclosed
EP-0972774-A3 2-Benzylthio-8-amino(1,2,4)triazolo(1,5-pyridines Dow AgroSciences LLC (US) 2001-10-31 EP disclosed
EP-0972774-A2 2-Benzylthio-8-amino(1,2,4)triazolo(1,5-pyridines Dow AgroSciences LLC (US) 2000-01-19 EP disclosed