SCHEMBL9740556

SCHEMBL9740556

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.34
FGFR1 P11362 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
TLR8 Q9NR97 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
SCHEMBL9742000 0.90 PNP (0.34) PNP
SCHEMBL9740365 0.89 PNP (0.36) PNPFGFR1MEN1ALDH1A1HPGD
SCHEMBL9663817 0.85 PNP (0.36) PNPMEN1ALDH1A1KMT2A
SCHEMBL9663073 0.81 BLM (0.47) PNPFGFR1MEN1ALDH1A1KMT2A
SCHEMBL9741529 0.77 PNP (0.59) PNPMEN1ALDH1A1KMT2A
SCHEMBL9741665 0.76 PNP (0.58) PNPMEN1ALDH1A1KMT2A
SCHEMBL9741386 0.76 PNP (0.58) PNPMEN1ALDH1A1KMT2A
SCHEMBL9741381 0.76 PNP (0.58) PNPMEN1ALDH1A1KMT2A
SCHEMBL11011339 0.75 PNP (0.33) PNPMEN1ALDH1A1KMT2A
SCHEMBL9740954 0.73 PNP (0.59) PNP

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