SCHEMBL9740365

SCHEMBL9740365

CCCCOCC(CO)OCn1c(Br)nc2c(O)nc(N)nc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.36
HPRT1 P00492 2/20 0.35
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
FGFR1 P11362 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9740556 0.89 PNP (0.34) PNPFGFR1MEN1ALDH1A1HPGD
SCHEMBL9662147 0.85 PNP (0.39) PNPHPRT1ADORA2AADORA2BADORA1
SCHEMBL9742000 0.79 PNP (0.34) PNP
SCHEMBL9663073 0.79 BLM (0.47) PNPHPRT1FGFR1MEN1ALDH1A1
SCHEMBL9741949 0.78 PNP (0.61) PNPHPRT1MEN1ALDH1A1KMT2A
SCHEMBL9740328 0.77 PNP (0.60) PNPHPRT1MEN1ALDH1A1KMT2A
SCHEMBL9740448 0.77 PNP (0.60) PNPHPRT1MEN1ALDH1A1KMT2A
SCHEMBL9741212 0.77 PNP (0.60) PNPHPRT1MEN1ALDH1A1KMT2A
SCHEMBL10741408 0.75 ADORA2A (0.41) PNPHPRT1ADORA2AADORA2BADORA1
SCHEMBL9661238 0.75 PNP (0.61) PNPHPRT1ADORA2AADORA2BADORA1

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-5098906-A Purine derivatives WARNER-LAMBERT COMPANY (US) 1992-03-24 US 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-0145207-A1 Purine derivatives WARNER-LAMBERT COMPANY (US) 1985-06-19 EP disclosed