SCHEMBL8536005

SCHEMBL8536005

CCCCCCCCCCCCc1nc2nc(N)[nH]c(=O)c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNP P00491 7/20 0.54
PI4KA P42356 1/20 0.52
PI4K2B Q8TCG2 1/20 0.52
PI4K2A Q9BTU6 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
GPR84 Q9NQS5 4/20 0.44
DHFR P00374 1/20 0.43

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
SCHEMBL7777164 1.00 PNP (0.54) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL6272296 1.00 PNP (0.54) PNPPI4KAPI4K2BPI4K2API4KB
Hydrochloric Acid SCHEMBL258896 0.99 PNP (0.53) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL8522269 0.98 PNP (0.56) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL6272728 0.94 PNP (0.58) PNPPI4KAPI4K2BPI4K2API4KB
Acetic Acid SCHEMBL4280717 0.93 PNP (0.49) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL667795 0.88 PNP (0.61) PNP
SCHEMBL21314870 0.87 PNP (0.56) PNP
SCHEMBL8196747 0.85 PNP (0.58) PNP
SCHEMBL5935062 0.84 PNP (0.70) PNP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794781-A4 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIV MASSACHUSETTS MEDICAL (US) 1998-04-22 EP disclosed
EP-0794781-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-09-17 EP disclosed
WO-1996020711-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-07-11 WO disclosed