SCHEMBL6996330

SCHEMBL6996330

COC(=O)c1nn(Cc2cccnc2)c(C(=O)OC)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 4/20 0.48
PKM P14618 1/20 0.48
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRA5 P31644 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL6996336 0.93 TSHR (0.48) TSHRMAPK1KDM4EALDH1A1PKM
SCHEMBL6993859 0.85 CYP1A2 (0.48) TSHRKDM4EALDH1A1CYP1A2SMN1; SMN2
SCHEMBL6995979 0.83 MAPT (0.48) TSHRMAPK1KDM4EALDH1A1PKM
SCHEMBL7002826 0.79 CYP1A2 (0.60) MAPK1KDM4EALDH1A1PKMCYP1A2
SCHEMBL6999206 0.79 CYP1A2 (0.47) PKMCYP1A2SMN1; SMN2L3MBTL1KMT2A
SCHEMBL25399382 0.79 L3MBTL1 (0.50) MAPK1KDM4EALDH1A1CYP1A2SMN1; SMN2
SCHEMBL6995982 0.79 MAPT (0.47) TSHRMAPK1KDM4EALDH1A1PKM
SCHEMBL6993863 0.78 CYP1A2 (0.49) MAPK1KDM4EALDH1A1PKMCYP1A2
SCHEMBL7004142 0.78 ALDH1A1 (0.46) TSHRMAPK1KDM4EALDH1A1PKM
SCHEMBL7004143 0.73 SMN1; SMN2 (0.44) TSHRMAPK1KDM4EALDH1A1CYP1A2

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