SCHEMBL8340811

SCHEMBL8340811

O=c1c2nc[nH]c2nc(CO)n1C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 5/20 0.42
▸ JAK2 O60674 5/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ PNP P00491 1/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ RGS12 O14924 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KEAP1 Q14145 2/20 0.33
▸ NFE2L2 Q16236 2/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ OGFRL1 Q5TC84 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HTT P42858 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
SCHEMBL30590084 0.82 ALDH1A1 (0.38) JAK1JAK2ADORA3ADORA2BPNP
SCHEMBL14743922 0.77 ADORA3 (0.48) JAK1JAK2ADORA3ADORA2BJAK3
SCHEMBL30618111 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8671444 0.66 ADORA3 (0.48) JAK1JAK2ADORA3ADORA2BCDK2
SCHEMBL6435319 0.64 NR1I2 (0.39) PNP
SCHEMBL17186330 0.64 PIK3C2A (0.34) PNPCDK2CDK9
SCHEMBL4560684 0.64 ADORA3 (0.35) JAK1JAK2ADORA3ADORA2BRGS12
SCHEMBL4658220 0.64 — —
Hydrochloric Acid SCHEMBL17186495 0.63 PIK3C2A (0.34) PNPCDK2CDK9
SCHEMBL3237727 0.63 PNP (0.30) PNPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874578-A Process for preparing guanine-containing antiviral agents and purinyl salts useful in such process BRISTOL-MYERS SQUIBB (US) 1999-02-23 — — US disclosed
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