SCHEMBL8295307

SCHEMBL8295307

CNC(=O)c1nn(C)c2c(Nc3cc(C)ccn3)nc(NC)nc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.53
KCNH2 Q12809 3/20 0.41
GRM5 P41594 1/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
SYK P43405 1/20 0.38
RIPK1 Q13546 1/20 0.37

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
SCHEMBL4705207 0.86 PDE5A (0.73) PDE5AKCNH2
SCHEMBL4699845 0.85 PDE5A (0.65) PDE5AKCNH2
SCHEMBL4702163 0.79 PDE5A (0.71) PDE5AKCNH2
SCHEMBL4701108 0.77 PDE5A (0.62) PDE5AKCNH2
SCHEMBL4701111 0.77 PDE5A (0.68) PDE5AKCNH2
SCHEMBL8293840 0.76 PDE5A (0.55) PDE5AKCNH2
SCHEMBL4703201 0.75 PDE5A (0.74) PDE5AKCNH2
SCHEMBL4703014 0.74 PDE5A (0.53) PDE5AKCNH2
SCHEMBL14507699 0.73 PDE5A (0.69) PDE5AKCNH2
SCHEMBL8295329 0.73 PDE5A (0.69) PDE5AKCNH2

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
WO-2005049617-A1 PYRAZOLOPYRIMIDINES PFIZER LIMITED (GB) 2005-06-02 WO disclosed