SCHEMBL9356875

SCHEMBL9356875

C=CCNc1nc(N)nc2c1ncn2C1C[C@H](F)[C@@H](CO)O1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.49
▸ PGK2 P07205 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ADORA3 P0DMS8 2/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ PNP P00491 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.42
▸ HBB P68871 1/20 0.42

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
SCHEMBL8826299 1.00 PGK1 (0.49) PGK1PGK2LMNATP53HTT
SCHEMBL15499075 0.90 PGK1 (0.50) PGK1PGK2LMNATP53HTT
SCHEMBL8826210 0.87 PGK1 (0.56) PGK1PGK2LMNATP53HTT
SCHEMBL8826529 0.86 PGK1 (0.50) PGK1PGK2LMNATP53HTT
SCHEMBL8826235 0.86 PGK1 (0.55) PGK1PGK2LMNATP53HTT
SCHEMBL8826290 0.85 ADORA3 (0.63) PGK1PGK2LMNATP53HTT
SCHEMBL9542046 0.85 ADORA3 (0.63) PGK1PGK2LMNATP53HTT
SCHEMBL15975543 0.84 PGK1 (0.45) PGK1PGK2LMNATP53HTT
SCHEMBL31006732 0.84 PGK1 (0.45) PGK1PGK2LMNATP53HTT
SCHEMBL15496605 0.84 PGK1 (0.45) PGK1PGK2LMNATP53HTT

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-0625158-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-23 — — EP disclosed
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