SCHEMBL7435920

SCHEMBL7435920

CCCc1ccnc2c(=O)[nH]c(-c3cc(N)ccc3OCC)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.51
KMT2A Q03164 3/20 0.47
PDE6C P51160 3/20 0.46
PDE1A P54750 4/20 0.44
PDE1B Q01064 4/20 0.44
PDE1C Q14123 4/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC1 Q13547 3/20 0.42
PDE2A O00408 2/20 0.42
PDE6D O43924 2/20 0.42
PDE9A O76083 2/20 0.42
PDE6A P16499 2/20 0.42
PDE6G P18545 2/20 0.42
PDE4A P27815 2/20 0.42

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
SCHEMBL7440676 0.85 PDE5A (0.66) PDE5AKMT2APDE6CPDE1APDE1B
SCHEMBL7444361 0.84 PDE5A (0.49) PDE5AKMT2APDE6CPDE1APDE1B
SCHEMBL7721206 0.82 KDM4E (0.66) PDE5AKMT2APDE6CPDE1APDE1B
SCHEMBL6641368 0.81 PDE5A (0.61) PDE5AKMT2APDE6CPDE1APDE1B
SCHEMBL7432093 0.81 GUSB (0.53) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL7721655 0.80 PDE5A (0.47) PDE5AKMT2APDE6CPDE1APDE1B
SCHEMBL8149898 0.78 PDE5A (0.70) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL7721640 0.78 PDE5A (0.69) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL7950435 0.77 KMT2A (0.77) PDE5AKMT2APDE6CPDE1APDE1B
SCHEMBL7718300 0.76 ABCC5 (0.47) PDE5AKMT2APDE6CPDE1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391885-B1 CONTROLLING APOPTOSIS IN AUTOIMMUNE DISEASE CELL PATHWAYS, INC. 2002-05-21 US disclosed
US-6060477-A Method of treating a patient having precancerous lesions with phenyl cycloamino pyrimidinone derivatives CELL PATHWAYS, INC. (US) 2000-05-09 US disclosed
EP-0656898-B1 PYRIDOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LTD (GB) 1997-01-22 EP disclosed
US-5591742-A TREATMENT OF ANGINA, HYPERTENSION, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1997-01-07 US disclosed
EP-0656898-A1 PYRIDOPYRIMIDINONE ANTIANGINAL AGENTS. PFIZER RES & DEV (IE) 1995-06-14 EP disclosed
WO-1994005661-A1 PYRIDOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1994-03-17 WO disclosed