SCHEMBL7003702

SCHEMBL7003702

CCOc1ncc(N)cc1-c1nc2c(-c3cccnc3)n[nH]c2c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 9/20 0.38
CLK3 P49761 9/20 0.38
DYRK1A Q13627 9/20 0.38
WNT1 P04628 2/20 0.38
PNP P00491 1/20 0.38
TGFBR1 P36897 1/20 0.38
AXL P30530 1/20 0.38
PDPK1 O15530 1/20 0.37
PTGES O14684 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PIM1 P11309 1/20 0.36
PDE5A O76074 1/20 0.36
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
ATR Q13535 1/20 0.35

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
SCHEMBL6998980 0.81 PDE5A (0.58) PDE5A
SCHEMBL7001635 0.78 PDE5A (0.56) PDE5A
SCHEMBL7002254 0.75 PDE5A (0.46) PDE5A
SCHEMBL6366070 0.72 PDE9A (0.44) CLK2CLK3DYRK1APDE5ACYP19A1
SCHEMBL7003929 0.71 PDE5A (0.40) PDE5A
SCHEMBL7001460 0.71 PDE5A (0.47) PDE5A
SCHEMBL7004010 0.70 PDE5A (0.40) PDE5A
SCHEMBL7001512 0.70 PDE5A (0.42) PDE5A
SCHEMBL6995524 0.69 PDE5A (0.58) PDE5A
SCHEMBL6777238 0.68 PDE5A (0.42) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123296-B1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LTD (GB) 2003-09-17 EP disclosed
US-6333330-B1 Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-12-25 US disclosed