SCHEMBL9798295

SCHEMBL9798295

Nc1nc2c(c(=O)[nH]1)NCN2Cc1ccsc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNP P00491 7/20 0.47
HPRT1 P00492 6/20 0.47
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
TYMS P04818 1/20 0.32

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
SCHEMBL4144591 0.83 HPRT1 (0.50) PNPHPRT1TYMS
SCHEMBL10508281 0.81 HPRT1 (0.49) PNPHPRT1TYMS
SCHEMBL10506438 0.81 HPRT1 (0.48) HPRT1TYMS
SCHEMBL10506884 0.81 HPRT1 (0.48) HPRT1TYMS
SCHEMBL9798123 0.79 PNP (0.52) PNPHPRT1
SCHEMBL9798195 0.79 HPRT1 (0.47) PNPHPRT1
SCHEMBL9798311 0.79 HPRT1 (0.47) PNPHPRT1TYMS
SCHEMBL10508847 0.78 TYMS (0.51) PNPHPRT1TYMS
SCHEMBL10507491 0.78 HPRT1 (0.46) HPRT1TYMS
SCHEMBL10506681 0.78 HPRT1 (0.48) PNPHPRT1TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4772606-A AUTOIMMUNE DISEASES, ORGAN TRANSPLANTS WARNER-LAMBERT COMPANY (US) 1988-09-20 US claimed
EP-0178178-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1986-04-16 EP claimed
US-5051429-A For treatment of autoimmune diseases such as arthritis, lupus, antiinflammatory agents, multiple sclerosis, diabetes and viral diseases WARNER-LAMBERT CO. (US) 1991-09-24 US disclosed
US-4952693-A TREATING AUTOIMMUNE DISEASES WARNER-LAMBERT COMPANY (US) 1990-08-28 US disclosed
US-4772606-A AUTOIMMUNE DISEASES, ORGAN TRANSPLANTS WARNER-LAMBERT COMPANY (US) 1988-09-20 US disclosed
EP-0178178-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1986-04-16 EP disclosed