SCHEMBL6197831

SCHEMBL6197831

CCn1nc(COCc2ccccc2)c(C(N)=O)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.52
MAPK1 P28482 1/20 0.44
GHSR Q92847 7/20 0.40
RIPK2 O43353 1/20 0.39
LCK P06239 1/20 0.39
KDR P35968 1/20 0.39
TGFBR1 P36897 1/20 0.39
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
XIAP P98170 1/20 0.36
SRC P12931 1/20 0.36
PARP10 Q53GL7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAOB P27338 1/20 0.36
ADORA2A P29274 1/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AGTR1 P30556 1/20 0.36

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
SCHEMBL6196995 0.90 PDE2A (0.50) PDE2AMAPK1GHSRMAPTTSHR
SCHEMBL20202573 0.85 MAPK1 (0.51) PDE2AMAPK1MAPTTSHRKDM4E
SCHEMBL22423076 0.85 PDE2A (0.53) PDE2AMAPK1GHSRMAPTTSHR
SCHEMBL20207772 0.80 PDE2A (0.52) PDE2AMAPK1GHSRMAPTKDM4E
SCHEMBL20138445 0.77 PDE2A (0.54) PDE2AGHSRRIPK2MAPTTSHR
SCHEMBL31194618 0.76 MAPK1 (0.57) MAPK1TSHRKDM4ECYP1A2SMN1; SMN2
SCHEMBL18283117 0.75 PDE2A (0.69) PDE2AMAPK1GHSRMAPTXIAP
SCHEMBL31194511 0.75 RIPK2 (0.43) MAPK1RIPK2LCKKDRTGFBR1
SCHEMBL20581431 0.74 PDE2A (0.74) PDE2AGHSRXIAPKDM4E
SCHEMBL20202564 0.74 PDE2A (0.55) PDE2AMAPK1GHSRMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0995751-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER (US) 2005-06-29 EP disclosed
US-6407114-B1 BENIGN PROSTATIC HYPERPLASIA, CARDIOVASCULAR, GASTROINTESTINAL AND RESPIRATORY DISORDER TREATMENT; ANTIASTHMATIC, ANTIALLERGEN, AND ANTIDIABETIC AGENTS PFIZER INC. 2002-06-18 US disclosed
EP-0995751-A2 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP disclosed