SCHEMBL8536007

SCHEMBL8536007

CCCCCCCCCCCCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.74
PNP P00491 11/20 0.70
HPRT1 P00492 6/20 0.70
KMT2A Q03164 1/20 0.57

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
SCHEMBL489056 1.00 TK1 (0.74) TK1PNPHPRT1KMT2A
SCHEMBL22571178 1.00 TK1 (0.74) TK1PNPHPRT1KMT2A
SCHEMBL6272299 1.00 TK1 (0.74) TK1PNPHPRT1KMT2A
Hydrochloric Acid SCHEMBL258897 0.99 TK1 (0.73) TK1PNPHPRT1KMT2A
SCHEMBL8522271 0.99 TK1 (0.76) TK1PNPHPRT1KMT2A
SCHEMBL6272731 0.95 TK1 (0.74) TK1PNPHPRT1
Phosphonic Acid SCHEMBL28142169 0.94 TK1 (0.70) TK1PNPHPRT1
SCHEMBL667796 0.89 TK1 (0.69) TK1PNPHPRT1
SCHEMBL16056722 0.87 TK1 (0.74) TK1PNPHPRT1
SCHEMBL8175624 0.87 TK1 (0.97) TK1PNPHPRT1

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