SCHEMBL7003634

SCHEMBL7003634

CN(C=O)c1c(N)c(C(N)=O)nn1Cc1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.36
SIRT1 Q96EB6 1/20 0.35
PARP10 Q53GL7 1/20 0.35
ALDH1A1 P00352 5/20 0.34
SLC16A3 O15427 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
AURKA O14965 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
SLC16A1 P53985 1/20 0.34
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL7003298 0.84 ALDH1A1 (0.36) ADRA1DSIRT1PARP10ALDH1A1SLC16A3
SCHEMBL6995580 0.78 ADRA1D (0.42) ADRA1DSIRT1PARP10ALDH1A1MEN1
SCHEMBL5827229 0.78 ADRA1D (0.40) ADRA1DSIRT1PARP10ALDH1A1SLC16A3
SCHEMBL6200427 0.76 USP2 (0.42) ADRA1DSIRT1PARP10ALDH1A1SLC16A3
SCHEMBL7004142 0.68 ALDH1A1 (0.46) ALDH1A1SLC16A3MEN1KMT2AMAPK1
SCHEMBL6446279 0.68 USP2 (0.44) ADRA1DSIRT1PARP10ALDH1A1SLC16A3
SCHEMBL6447255 0.68 SLC16A3 (0.42) ADRA1DSIRT1PARP10ALDH1A1SLC16A3
SCHEMBL7004394 0.67 KDM4E (0.41) ADRA1DSIRT1PARP10ALDH1A1MEN1
SCHEMBL6447516 0.67 USP2 (0.50) ADRA1DSIRT1PARP10ALDH1A1SLC16A3
SCHEMBL6200741 0.67 ALDH1A1 (0.39) ADRA1DSIRT1PARP10ALDH1A1MEN1

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 2 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