SCHEMBL28872522

SCHEMBL28872522

COCCOc1c(C#N)c(=O)[nH]c2cnccc12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 6/20 0.56
▸ KDM5B Q9UGL1 2/20 0.56
▸ KDM5C P41229 1/20 0.56
▸ PDE9A O76083 12/20 0.53
▸ PARP1 P09874 1/20 0.41
▸ CHUK O15111 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
SCHEMBL22871658 0.76 KDM5A (0.75) KDM5AKDM5BKDM5CPDE9APARP1
SCHEMBL22298103 0.75 KDM5A (0.69) KDM5AKDM5BKDM5CPDE9APARP1
SCHEMBL20870262 0.72 KDM5A (1.00) KDM5AKDM5BKDM5CPDE9APARP1
SCHEMBL4754631 0.72 KDM5A (0.69) KDM5AKDM5BKDM5CPDE9APARP1
SCHEMBL14442482 0.72 KDM5A (0.64) KDM5AKDM5BKDM5CPDE9APARP1
SCHEMBL22298274 0.71 PDE9A (0.62) PDE9A
SCHEMBL20870614 0.71 PDE9A (0.73) KDM5AKDM5BKDM5CPDE9APARP1
SCHEMBL20870149 0.71 PDE9A (0.61) PDE9A
SCHEMBL20870339 0.71 PDE9A (0.61) KDM5AKDM5BKDM5CPDE9A
SCHEMBL20870106 0.69 PDE9A (1.00) KDM5AKDM5BKDM5CPDE9A

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
CN-109575016-A PDE9 inhibitors and uses thereof 南京药捷安康生物科技有限公司 2019-04-05 — — CN disclosed
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