SCHEMBL9799100

SCHEMBL9799100

Cc1sccc1CN1c2nc(N)[nH]c(=O)c2NC1Br

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.48
PNP P00491 3/20 0.35
TYMS P04818 6/20 0.33
NOS1 P29475 5/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10642025 0.87 HPRT1 (0.38) HPRT1PNPTYMSNOS1NOS3
SCHEMBL9798158 0.84 PNP (0.50) HPRT1PNPNOS1SMN1; SMN2
SCHEMBL10509301 0.81 HPRT1 (0.50) HPRT1PNPTYMSSMN1; SMN2
SCHEMBL9798192 0.81 HPRT1 (0.50) HPRT1PNPTYMSNOS1NOS3
SCHEMBL10507676 0.79 HPRT1 (0.48) HPRT1PNP
SCHEMBL2128394 0.79 HPRT1 (0.49) HPRT1PNPTYMSNOS1
SCHEMBL10508430 0.78 HPRT1 (0.48) HPRT1PNPTYMS
SCHEMBL9798499 0.77 HPRT1 (0.45) HPRT1PNPTYMSNOS1NOS3
SCHEMBL10509001 0.77 HPRT1 (0.47) HPRT1PNPTYMSNOS1
SCHEMBL10507662 0.76 HPRT1 (0.50) HPRT1PNPTYMS

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