SCHEMBL9798201

SCHEMBL9798201

Nc1nc2c(nc(Br)n2Cc2cccnc2)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNP P00491 8/20 0.58
HPRT1 P00492 4/20 0.45
TLR7 Q9NYK1 3/20 0.45
PKM P14618 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK10 P53779 1/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PDE7A Q13946 1/20 0.41
PDE7B Q9NP56 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL9798404 0.88 PNP (0.75) PNPTLR7PKMKMT2AMEN1
SCHEMBL2128391 0.87 PNP (0.76) PNPHPRT1TLR7ADORA2AADORA1
SCHEMBL22040467 0.86 PNP (0.58) PNPTLR7PKMMAPK10
SCHEMBL10506664 0.81 PNP (0.60) PNPHPRT1ADORA2AADORA1
SCHEMBL10506827 0.81 PNP (0.60) PNPHPRT1TLR7ADORA2AADORA1
SCHEMBL10506260 0.80 PNP (0.58) PNPHPRT1ADORA2AADORA1
SCHEMBL10506494 0.80 PNP (0.58) PNPHPRT1
SCHEMBL10507177 0.78 PNP (0.54) PNPHPRT1KMT2AMEN1CYP1A2
SCHEMBL9231914 0.78 PNP (0.76) PNP
SCHEMBL27851218 0.77 PNP (0.62) PNPHPRT1KMT2AADORA2AADORA1

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