SCHEMBL9569463

SCHEMBL9569463

CCOP(=O)(/C=C/[C@H](O)CCn1cnc2c(=O)[nH]c(N)nc21)OCC

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNP P00491 5/20 0.56
HPRT1 P00492 11/20 0.54
TK1 P04183 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL9569460 1.00 PNP (0.56) PNPHPRT1TK1POLB
SCHEMBL9569450 0.86 HPRT1 (0.60) PNPHPRT1TK1
SCHEMBL9569446 0.86 HPRT1 (0.60) PNPHPRT1TK1
SCHEMBL9569453 0.81 BLM (0.61) PNPHPRT1
SCHEMBL9569457 0.81 BLM (0.61) PNPHPRT1
SCHEMBL9569526 0.81 ADORA2A (0.50)
SCHEMBL9569515 0.81 ADORA2A (0.50)
SCHEMBL9569537 0.81 ADORA2A (0.50)
SCHEMBL10916532 0.77 HPRT1 (0.57) PNPHPRT1TK1
SCHEMBL7173165 0.77 TK1 (0.68) PNPHPRT1TK1

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
EP-0532423-A1 Novel unsaturated acyclic phosphonate derivatives of purine and pyrimidine MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-17 EP disclosed