SCHEMBL798

SCHEMBL798

COCc1nn(C)c(C#N)c1N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 3/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
KMT2A Q03164 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20552007 0.76 GAA (0.40) KDM4EALDH1A1LMNAMAPK1GAA
SCHEMBL1343 0.73 SMN1; SMN2 (0.36) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL22435322 0.71 LMNA (0.35) LMNA
SCHEMBL10872328 0.70 SMN1; SMN2 (0.35) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL20550869 0.65 GAA (0.38) KDM4EALDH1A1LMNAMAPK1GAA
SCHEMBL15273689 0.64 CSNK2A1 (0.32)
SCHEMBL24013956 0.62 ALDH1A1 (0.34) KDM4EALDH1A1LMNAMAPK1GAA
SCHEMBL15273651 0.62
SCHEMBL20551310 0.61 GAA (0.36) KDM4EALDH1A1LMNAMAPK1GAA
SCHEMBL28642187 0.61 LMNA (0.33) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
US-5719283-A INHIBITORS OF PHOSPHODIESTERASES; CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1998-02-17 US disclosed
CN-1028758-C Pyrazolopyrimidinone antianginal agents PFIZER (US) 1995-06-07 CN disclosed
EP-0463756-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1995-04-19 EP disclosed
US-5346901-A Treatment of angina, hypertension, heart failure and atherosclerosis PFIZER INC. (US) 1994-09-13 US disclosed
US-5250534-A Inhibitors of cyclic guanosine 3*,5*-monophosphate phosphodiesterase PFIZER INC. (US) 1993-10-05 US disclosed
EP-0463756-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1992-01-02 EP disclosed
CN-1057464-A Pyrazolopyrimidinoneantianginal antianginal agents PFIZER (US) 1992-01-01 CN disclosed