SCHEMBL22298186

SCHEMBL22298186

CCCCNc1c(C#N)c(=O)[nH]c2cnccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 6/20 0.56
▸ KDM5B Q9UGL1 2/20 0.56
▸ KDM5C P41229 1/20 0.56
▸ PDE9A O76083 7/20 0.56
▸ LMNA P02545 1/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ UTS2R Q9UKP6 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ KDM6B O15054 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL20870607 0.83 KDM5A (0.53) KDM5AKDM5BKDM5CPDE9APARP1
SCHEMBL20870269 0.80 KDM5A (0.57) KDM5AKDM5BKDM5CPDE9ALMNA
SCHEMBL22871667 0.79 PDE9A (0.47) KDM5AKDM5BKDM5CPDE9APARP1
SCHEMBL22871683 0.78 PDE9A (0.67) KDM5AKDM5BKDM5CPDE9APARP1
SCHEMBL20870599 0.78 KDM5A (0.55) KDM5AKDM5BKDM5CPDE9APARP1
SCHEMBL22298182 0.76 KDM5A (0.56) KDM5AKDM5BKDM5CPDE9APARP1
SCHEMBL22871658 0.76 KDM5A (0.75) KDM5AKDM5BKDM5CPDE9APARP1
SCHEMBL20870616 0.76 KDM5A (0.59) KDM5AKDM5BKDM5CPDE9APARP1
SCHEMBL22298103 0.75 KDM5A (0.69) KDM5AKDM5BKDM5CPDE9APARP1
SCHEMBL20870262 0.72 KDM5A (1.00) KDM5AKDM5BKDM5CPDE9APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689876-A1 PDE9 INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co. Ltd. (CN) 2020-08-05 — — EP disclosed
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