SCHEMBL17826611

SCHEMBL17826611

Cc1cn([C@@H]2O[C@@H]3COP(=S)(Nc4ccccc4)OC3C2O)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.45
▸ TK1 P04183 3/20 0.40
▸ TYMP P19971 1/20 0.39

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
SCHEMBL10239442 0.83 DHFR (0.60) DHFRTK1
SCHEMBL17826619 0.79 DHFR (0.49) DHFRTK1
SCHEMBL8745678 0.78 TK1 (0.52) DHFRTK1TYMP
SCHEMBL8827975 0.78 TK1 (0.52) DHFRTK1TYMP
SCHEMBL16158818 0.77 TDP1 (0.34) —
SCHEMBL17826624 0.76 DHFR (0.53) DHFRTK1
SCHEMBL17826617 0.76 DHFR (0.44) DHFRTK1TYMP
SCHEMBL5982146 0.70 ALDH1A1 (0.49) DHFRTK1TYMP
SCHEMBL9218555 0.70 ALDH1A1 (0.49) DHFRTK1TYMP
SCHEMBL25701920 0.69 TK1 (0.55) DHFRTK1TYMP

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
US-9365605-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-06-14 — — US disclosed
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