SCHEMBL9798404

SCHEMBL9798404

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

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNP P00491 12/20 0.75
TLR7 Q9NYK1 3/20 0.47
PKM P14618 3/20 0.46
MAPK10 P53779 1/20 0.46
TYMS P04818 2/20 0.43
KMT2A Q03164 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL22040467 0.88 PNP (0.58) PNPTLR7PKMMAPK10TYMS
SCHEMBL9798201 0.88 PNP (0.58) PNPTLR7PKMMAPK10KMT2A
SCHEMBL6359274 0.86 PNP (1.00) PNPTLR7TYMS
SCHEMBL10505540 0.80 PNP (0.78) PNPTYMS
SCHEMBL9231914 0.80 PNP (0.76) PNP
SCHEMBL338656 0.79 PNP (0.46) PNPTLR7PKMMAPK10TYMS
SCHEMBL10506332 0.79 PNP (0.76) PNPTYMS
SCHEMBL10505790 0.79 PNP (0.76) PNPTYMS
Hydrochloric Acid SCHEMBL10664096 0.78 PNP (0.74) PNPTYMS
SCHEMBL10506516 0.77 PNP (0.69) PNPTYMSKMT2ACYP1A2CYP3A4

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