SCHEMBL18755599

SCHEMBL18755599

Nc1nc2[nH]cc(CCc3ccc(C=O)cc3)c2c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 14/20 0.55
DHFR P00374 2/20 0.55
FOLR2 P14207 1/20 0.55
FOLR1 P15328 1/20 0.55
GART P22102 1/20 0.55
ATIC P31939 1/20 0.55
SHMT1 P34896 1/20 0.55
SLC19A1 P41440 1/20 0.55
FRK P42685 1/20 0.55
SLC46A1 Q96NT5 1/20 0.55

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
SCHEMBL12238856 0.85 TYMS (0.57) TYMSDHFRFOLR2FOLR1GART
SCHEMBL22967337 0.85 TYMS (0.59) TYMSDHFRFOLR2FOLR1GART
SCHEMBL18551642 0.82 TYMS (0.64) TYMSDHFRFOLR2FOLR1GART
SCHEMBL2260428 0.82 TYMS (0.69) TYMSDHFRFOLR2FOLR1GART
SCHEMBL2261493 0.82 TYMS (0.55) TYMSDHFRFOLR2FOLR1GART
SCHEMBL24845712 0.82 TYMS (0.56) TYMSDHFRFOLR2FOLR1GART
SCHEMBL24845716 0.82 PNP (0.57) TYMSDHFRFOLR2FOLR1GART
SCHEMBL13659935 0.81 TYMS (0.63) TYMSDHFRFOLR2FOLR1GART
SCHEMBL2260030 0.81 TYMS (0.67) TYMSDHFRFOLR2FOLR1GART
SCHEMBL18780148 0.81 TYMS (0.39) TYMSDHFRFOLR2FOLR1GART

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-3156077-A1 TARGETING LIPIDS Arbutus Biopharma Corporation (CA) 2017-04-19 EP disclosed