SCHEMBL6993863

SCHEMBL6993863

COC(=O)c1nn(Cc2ccncc2)c(C(=O)O)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
USP2 O75604 1/20 0.43
MAPK10 P53779 1/20 0.43
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
FAAH O00519 1/20 0.39
GAA P10253 3/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MAPK1 P28482 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 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
SCHEMBL6993859 0.92 CYP1A2 (0.48) CYP1A2SMN1; SMN2USP2MAPK10KDM4E
SCHEMBL6999211 0.86 CYP1A2 (0.48) CYP1A2SMN1; SMN2MAPK10MEN1KMT2A
SCHEMBL6996336 0.86 TSHR (0.48) CYP1A2SMN1; SMN2KDM4EKMT2AGAA
SCHEMBL6996820 0.82 ALDH1A1 (0.43) CYP1A2SMN1; SMN2USP2MAPK10KDM4E
SCHEMBL7002826 0.81 CYP1A2 (0.60) CYP1A2SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL7004143 0.80 SMN1; SMN2 (0.44) CYP1A2SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL25399382 0.79 L3MBTL1 (0.50) CYP1A2SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6999206 0.79 CYP1A2 (0.47) CYP1A2SMN1; SMN2MAPK10MEN1KMT2A
SCHEMBL6996330 0.78 TSHR (0.50) CYP1A2SMN1; SMN2KDM4EKMT2AGAA
SCHEMBL6996815 0.77 ALDH1A1 (0.44) CYP1A2SMN1; SMN2USP2MAPK10MEN1

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 4 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
EP-1123296-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2001-08-16 EP disclosed
WO-2000024745-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2000-05-04 WO disclosed