SCHEMBL24063492

SCHEMBL24063492

Cc1ccc(Nc2c(C#N)c(=O)[nH]c3cccnc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 5/20 0.65
▸ KCNMA1 Q12791 9/20 0.46
▸ PDE1C Q14123 1/20 0.45
▸ PARP1 P09874 2/20 0.44
▸ DHODH Q02127 1/20 0.40
▸ ATAD2 Q6PL18 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL24063504 0.89 PDE9A (0.53) PDE9AKCNMA1PARP1KDM4E
SCHEMBL24063436 0.88 PDE9A (0.51) PDE9AKCNMA1PARP1KDM4E
SCHEMBL24276341 0.88 PDE9A (0.50) PDE9AKCNMA1PARP1KDM4E
SCHEMBL22298182 0.76 KDM5A (0.56) PDE9APDE1CPARP1DHODH
SCHEMBL24276323 0.75 PDE9A (0.51) PDE9AKCNMA1PARP1KDM4E
SCHEMBL20870085 0.72 KCNMA1 (0.63) PDE9AKCNMA1PARP1KDM4E
SCHEMBL4754780 0.72 PDE9A (0.60) PDE9AKCNMA1PARP1KDM4E
SCHEMBL22224785 0.72 PDE9A (0.49) PDE9APDE1CKDM4E
SCHEMBL22275015 0.72 PDE9A (0.48) PDE9AKCNMA1PARP1KDM4E
SCHEMBL24276304 0.71 PDE9A (0.50) PDE9AKCNMA1PARP1

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-3915992-A1 PDE9 INHIBITOR AND USE THEREOF Transthera Sciences (Nanjing), Inc. (CN) 2021-12-01 — — EP disclosed
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