SCHEMBL9537018

SCHEMBL9537018

CCC(Cc1cnc2nc(N)nc(O)c2c1)c1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.59
FOLR1 P15328 1/20 0.48
SLC19A1 P41440 1/20 0.48
SLC46A1 Q96NT5 1/20 0.48
GART P22102 1/20 0.47

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
SCHEMBL10494143 0.94 DHFR (0.67) DHFRFOLR1SLC19A1SLC46A1GART
SCHEMBL9535837 0.86 GART (0.63) DHFRGART
SCHEMBL9538587 0.84 DHFR (0.61) DHFRFOLR1SLC19A1SLC46A1GART
SCHEMBL9446052 0.80 GART (0.59) DHFRFOLR1SLC19A1SLC46A1GART
SCHEMBL9535831 0.80 GART (0.72) DHFRGART
SCHEMBL9263780 0.78 GART (0.67) DHFRFOLR1SLC19A1SLC46A1GART
SCHEMBL9208525 0.78 GART (0.60) DHFRFOLR1SLC19A1SLC46A1GART
SCHEMBL9208538 0.78 GART (0.60) DHFRFOLR1SLC19A1SLC46A1GART
SCHEMBL17790961 0.78 DHFR (0.54) DHFRGART
SCHEMBL9054749 0.75 DHFR (0.52) DHFRFOLR1SLC19A1SLC46A1GART

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-0215063-B1 PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES UNIV PRINCETON (US) 1993-11-03 EP claimed