SCHEMBL7002254

SCHEMBL7002254

CCOc1ncc(N)cc1-c1nc2c(-c3ccccc3)n(C)nc2c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.46
PDE1A P54750 2/20 0.43
PDE1B Q01064 2/20 0.43
PDE1C Q14123 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PDE6C P51160 1/20 0.39
GUSB P08236 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
SCHEMBL7004010 0.91 PDE5A (0.40) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL7001512 0.91 PDE5A (0.42) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL7003929 0.90 PDE5A (0.40) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL7001346 0.88 PDE5A (0.39) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL7001460 0.87 PDE5A (0.47) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL6995296 0.87 KDM4E (0.38) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL7000319 0.87 PDE5A (0.45) PDE5APDE6C
SCHEMBL7002358 0.85 PDE5A (0.39) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL6999597 0.84 PDE5A (0.40) PDE5AKMT2AKDM4EPDE6C
SCHEMBL6777238 0.84 PDE5A (0.42) PDE5APDE1APDE1BPDE1CKMT2A

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