SCHEMBL9799108

SCHEMBL9799108

Cc1ccsc1CN1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 6/20 0.47
▸ PNP P00491 3/20 0.47
▸ LMNA P02545 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ GAA P10253 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ TYMS P04818 1/20 0.33

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
SCHEMBL9798499 0.84 HPRT1 (0.45) HPRT1PNPTYMS
SCHEMBL9798123 0.79 PNP (0.52) HPRT1PNPKMT2AMEN1ALDH1A1
SCHEMBL10506884 0.79 HPRT1 (0.48) HPRT1GAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9798295 0.77 PNP (0.47) HPRT1PNPTYMS
SCHEMBL10385884 0.76 PNP (0.47) HPRT1PNPLMNAHPGDGAA
SCHEMBL9798317 0.76 HPRT1 (0.46) HPRT1PNPTYMS
SCHEMBL9798298 0.76 HPRT1 (0.46) HPRT1TYMS
SCHEMBL4144591 0.76 HPRT1 (0.50) HPRT1PNPTYMS
SCHEMBL10508281 0.75 HPRT1 (0.49) HPRT1PNPRECQLTYMS
SCHEMBL3743947 0.75 HPRT1 (0.56) HPRT1HPGDKMT2AALDH1A1KDM4E

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
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