SCHEMBL9563449

SCHEMBL9563449

O=c1[nH]cnc2c1ncn2CCC(C=C(F)F)P(=O)(O)O

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 17/20 0.63
PNP P00491 3/20 0.58

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
SCHEMBL9563464 0.84 HPRT1 (0.62) HPRT1PNP
SCHEMBL9563451 0.81 FGFR1 (0.57)
SCHEMBL9563452 0.79 FDPS (0.61) HPRT1
SCHEMBL9563450 0.78 HPRT1 (0.49) HPRT1PNP
SCHEMBL9563495 0.77 HDAC6 (0.44)
SCHEMBL21638924 0.73 HPRT1 (0.70) HPRT1PNP
SCHEMBL20511628 0.73 HPRT1 (0.70) HPRT1PNP
SCHEMBL15531889 0.73 HPRT1 (1.00) HPRT1PNP
SCHEMBL16625395 0.73 HPRT1 (1.00) HPRT1PNP
SCHEMBL8422749 0.73 HPRT1 (0.70) HPRT1PNP

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-0531597-A1 Novel unsaturated acyclic phosphonate derivatives of purine and pyrimidine MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-17 EP disclosed