SCHEMBL9799122

SCHEMBL9799122

CCc1ccc(Cn2c(Br)nc3c(=O)[nH]c(N)nc32)s1.Nc1nc2c(nc(Br)n2Cc2ccco2)c(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 7/20 0.63
ADORA2A P29274 5/20 0.40
ADORA2B P29275 4/20 0.40
MEN1 O00255 2/20 0.40
BLM P54132 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
HPRT1 P00492 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL9798182 0.90 PNP (0.51) PNPMEN1KMT2AHPRT1ALDH1A1
SCHEMBL10386634 0.89 PNP (0.78) PNPMEN1BLMKMT2ALMNA
SCHEMBL9798131 0.79 PNP (0.65) PNPMEN1KMT2A
SCHEMBL10646527 0.78 PNP (1.00) PNPMEN1BLMKMT2ALMNA
Hydrochloric Acid SCHEMBL9798331 0.77 PNP (0.98) PNPMEN1BLMKMT2ALMNA
SCHEMBL9798141 0.74 PNP (0.78) PNPMEN1KMT2AHPRT1ALDH1A1
SCHEMBL9799127 0.72 HPRT1 (0.43) PNPADORA2AADORA2BMEN1BLM
SCHEMBL2128391 0.71 PNP (0.76) PNPADORA2AHPRT1
SCHEMBL9798305 0.70 PNP (0.61) PNPMEN1BLMKMT2ALMNA
SCHEMBL10506494 0.69 PNP (0.58) PNPHPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0178178-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1986-04-16 EP disclosed