SCHEMBL7422631

SCHEMBL7422631

CCc1[nH]nc2c(=O)[nH]cnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 8/20 0.48
PDPK1 O15530 2/20 0.46
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACVR1 Q04771 1/20 0.39
PDE5A O76074 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CYP1A2 P05177 1/20 0.38
TMIGD3 P0DMS9 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADORA1 P30542 1/20 0.38
PARP1 P09874 2/20 0.38
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 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
SCHEMBL7422389 0.88 PDE5A (0.50) PNPPDPK1KDM4EGAAHPGD
SCHEMBL13691975 0.70 PNP (0.62) PNP
SCHEMBL18521204 0.70 PDPK1 (0.49) PNPPDPK1CYP1A2TMIGD3CYP2C9
SCHEMBL1993929 0.67 ADORA2A (0.40) PNPPDPK1KDM4EGAAHPGD
SCHEMBL6643757 0.66 PNP (0.56) PNP
SCHEMBL3241296 0.66 ALDH1A1 (0.35) KDM4E
SCHEMBL670236 0.65 PDPK1 (0.46) PNPPDPK1KDM4EHPGDPARP1
Hypoxanthine SCHEMBL29467372 0.64 CYP1A2 (0.41) PNPPDPK1KDM4EGAAHPGD
Hypoxanthine SCHEMBL30324467 0.64 CYP1A2 (0.41) PNPPDPK1KDM4EGAAHPGD
SCHEMBL14190552 0.64 PDPK1 (0.76) PNPPDPK1ACVR1PARP1

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-1220856-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES Pfizer Limited (GB) 2002-07-10 EP claimed
WO-2001027113-A2 PYRAZOLO `4,3-d! PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2001-04-19 WO claimed