SCHEMBL16004533

SCHEMBL16004533

NC(=O)OC[C@H]1O[C@@H](n2cnc(N)nc2=O)C[C@H]1OP(=O)(O)OC[C@@H]1CC[C@H](n2cnc3c(=O)[nH]c(N)nc32)O1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ FUT5 Q11128 1/20 0.46
▸ P2RY2 P41231 1/20 0.46
▸ P2RY4 P51582 1/20 0.46
▸ P2RY6 Q15077 1/20 0.46
▸ TERT O14746 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ F2 P00734 2/20 0.43
▸ TGM2 P21980 1/20 0.42
▸ HINT1 P49773 1/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ KRAS P01116 5/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41

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
SCHEMBL16004522 1.00 POLB (0.51) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20782763 0.88 POLB (0.58) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL14750407 0.86 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL21609617 0.86 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL14750417 0.86 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20924348 0.86 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL21609618 0.86 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20924553 0.86 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20924422 0.86 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL22053473 0.85 POLB (0.67) POLBFUT5P2RY2P2RY4P2RY6

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
WO-2014134355-A1 DRUG COMBINATIONS ASTEX PHARMACEUTICALS, INC. (US) 2014-09-04 — — WO disclosed
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