SCHEMBL9662147

SCHEMBL9662147

Nc1nc(O)c2nc(Br)n(COC(CO)CO)c2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.39
HPRT1 P00492 1/20 0.39
ADORA2A P29274 4/20 0.35
ADORA2B P29275 4/20 0.35
ADORA1 P30542 4/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
VCP P55072 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL10741408 0.88 ADORA2A (0.41) PNPHPRT1ADORA2AADORA2BADORA1
SCHEMBL9663817 0.86 PNP (0.36) PNPMEN1ALDH1A1LMNACYP3A4
SCHEMBL9740365 0.85 PNP (0.36) PNPHPRT1ADORA2AADORA2BADORA1
SCHEMBL9661238 0.80 PNP (0.61) PNPHPRT1ADORA2AADORA2BADORA1
SCHEMBL10737386 0.75 PNP (0.70) PNPHPRT1MEN1ALDH1A1LMNA
SCHEMBL9742000 0.75 PNP (0.34) PNP
SCHEMBL10743970 0.73 PNP (0.37) PNPMEN1ALDH1A1LMNACYP3A4
Ganciclovir SCHEMBL14491348 0.73 BLM (0.60) PNPHPRT1ADORA2AADORA1MEN1
SCHEMBL9740556 0.73 PNP (0.34) PNPMEN1ALDH1A1KMT2A
SCHEMBL11011339 0.68 PNP (0.33) PNPMEN1ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098906-A Purine derivatives WARNER-LAMBERT COMPANY (US) 1992-03-24 US claimed
US-4806642-A Purine derivatives WARNER-LAMBERT COMPANY (US) 1989-02-21 US claimed
EP-0145207-B1 PURINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1989-01-25 EP claimed
EP-0145207-A1 Purine derivatives WARNER-LAMBERT COMPANY (US) 1985-06-19 EP claimed
US-5098906-A Purine derivatives WARNER-LAMBERT COMPANY (US) 1992-03-24 US disclosed
EP-0249249-B1 GLYCEROL DERIVATIVES WARNER-LAMBERT COMPANY (US) 1992-01-02 EP disclosed
US-4921859-A Purine derivatives WARNER-LAMBERT COMPANY (US) 1990-05-01 US disclosed
US-4918219-A Glycerine derivatives WARNER-LAMBERT COMPANY (US) 1990-04-17 US disclosed
US-4806642-A Purine derivatives WARNER-LAMBERT COMPANY (US) 1989-02-21 US disclosed
EP-0145207-B1 PURINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1989-01-25 EP disclosed
EP-0249249-A2 Glycerol derivatives WARNER-LAMBERT COMPANY (US) 1987-12-16 EP disclosed
EP-0249247-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1987-12-16 EP disclosed
EP-0249248-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1987-12-16 EP disclosed
EP-0145207-A1 Purine derivatives WARNER-LAMBERT COMPANY (US) 1985-06-19 EP disclosed