SCHEMBL7001346

SCHEMBL7001346

CCOc1ncc(N)cc1-c1nc2c(-c3ccc(C(F)(F)F)cc3)n(C)nc2c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC2 Q92769 1/20 0.37
PDE2A O00408 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 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
SCHEMBL7001512 0.90 PDE5A (0.42) PDE5AKDM4EHDAC1HDAC6HDAC2
SCHEMBL6995296 0.90 KDM4E (0.38) PDE5AKDM4EHDAC1HDAC6HDAC2
SCHEMBL7004010 0.88 PDE5A (0.40) PDE5AKDM4EHDAC1HDAC6HDAC2
SCHEMBL7002254 0.88 PDE5A (0.46) PDE5AKDM4EKMT2AMEN1ALDH1A1
SCHEMBL7000319 0.84 PDE5A (0.45) PDE5A
SCHEMBL7002358 0.84 PDE5A (0.39) PDE5AKDM4EHDAC1HDAC6HDAC2
SCHEMBL7001460 0.83 PDE5A (0.47) PDE5AKDM4EHDAC1KMT2AMEN1
SCHEMBL7003929 0.82 PDE5A (0.40) PDE5AKDM4EHDAC1HDAC6KMT2A
SCHEMBL6999597 0.82 PDE5A (0.40) PDE5AKDM4EHDAC1HDAC6KMT2A
SCHEMBL6777238 0.80 PDE5A (0.42) PDE5AKDM4EHDAC1KMT2AMEN1

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