SCHEMBL7422389

SCHEMBL7422389

CCCc1[nH]nc2c(=O)[nH]cnc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
PNP P00491 4/20 0.47
PDPK1 O15530 2/20 0.45
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
PARP1 P09874 2/20 0.37
PBRM1 Q86U86 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
GLA P06280 1/20 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
SCHEMBL7422631 0.88 PNP (0.48) PDE5APDE3BPDE3APNPPDPK1
SCHEMBL670236 0.73 PDPK1 (0.46) PNPPDPK1HPGDKDM4ERXFP1
SCHEMBL6643757 0.71 PNP (0.56) PNP
SCHEMBL13691975 0.66 PNP (0.62) PNP
SCHEMBL4762365 0.66 ALDH1A1 (0.38) PDPK1HPGDRAB9APARP1
SCHEMBL18521204 0.66 PDPK1 (0.49) PNPPDPK1KDM4AKDM4BKDM5C
SCHEMBL1149887 0.65 PDE5A (0.52) PDE5APDE3BPDE3AHPGDKDM4E
Hypoxanthine SCHEMBL30324467 0.63 CYP1A2 (0.41) PNPPDPK1HPGDKDM4EGAA
Hypoxanthine SCHEMBL29467372 0.63 CYP1A2 (0.41) PNPPDPK1HPGDKDM4EGAA
SCHEMBL14190552 0.63 PDPK1 (0.76) PNPPDPK1PARP1

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 disclosed
WO-2001027113-A2 PYRAZOLO `4,3-d! PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2001-04-19 WO disclosed