SCHEMBL6996899

SCHEMBL6996899

COC(=O)c1c(N)c(C(N)=O)nn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.35
DAPK3 O43293 2/20 0.35
PRKD3 O94806 2/20 0.35
MAP4K4 O95819 2/20 0.35
PRKACA P17612 2/20 0.35
LTK P29376 2/20 0.35
KDR P35968 2/20 0.35
MAPK8 P45983 2/20 0.35
CSNK1A1 P48729 2/20 0.35
CDK8 P49336 2/20 0.35
CLK2 P49760 2/20 0.35
CDK9 P50750 2/20 0.35
CDK5 Q00535 2/20 0.35
MAP2K1 Q02750 2/20 0.35
ACVR1 Q04771 2/20 0.35
ROCK1 Q13464 2/20 0.35
DYRK1A Q13627 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
DYRK1B Q9Y463 2/20 0.35

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
SCHEMBL31133143 0.89 NPSR1 (0.43) NPSR1ALDH1A1DAPK3PRKD3MAP4K4
SCHEMBL7004410 0.86 NPSR1 (0.41) NPSR1ALDH1A1DAPK3PRKD3MAP4K4
SCHEMBL11272207 0.79 KDM4E (0.45) ALDH1A1DAPK3PRKD3MAP4K4PRKACA
SCHEMBL21057401 0.77 CYP1A2 (0.36) NPSR1ALDH1A1DAPK3PRKD3MAP4K4
SCHEMBL6994179 0.76 MEN1 (0.49) GAAKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL24275924 0.74 IKBKB (0.40) NPSR1ALDH1A1DAPK3PRKD3MAP4K4
SCHEMBL7522906 0.72 PIM3 (0.41) ALDH1A1DAPK3PRKD3MAP4K4PRKACA
SCHEMBL24276004 0.71 MAPK1 (0.40) NPSR1ALDH1A1DAPK3PRKD3MAP4K4
SCHEMBL12612495 0.71 PKM (0.40) ALDH1A1DAPK3PRKD3MAP4K4PRKACA
SCHEMBL6997732 0.71 SMN1; SMN2 (0.56) GAAKDM4ESMN1; SMN2MEN1KMT2A

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