SCHEMBL20924397

SCHEMBL20924397

COC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)CC1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc(N)nc2=O)C[C@H]1OC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
FUT5 Q11128 1/20 0.52
P2RY2 P41231 1/20 0.50
P2RY4 P51582 1/20 0.50
P2RY6 Q15077 1/20 0.50
NT5E P21589 1/20 0.48
P2RY1 P47900 1/20 0.48
TGM2 P21980 1/20 0.47
F2 P00734 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
KRAS P01116 2/20 0.43
TERT O14746 1/20 0.43

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
SCHEMBL20924538 1.00 POLB (0.56) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL14605324 1.00 POLB (0.56) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL13405030 1.00 POLB (0.56) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL16004352 1.00 POLB (0.56) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20924393 1.00 POLB (0.56) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20924349 1.00 POLB (0.56) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20924398 1.00 POLB (0.56) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20924576 1.00 POLB (0.56) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL16156403 0.95 POLB (0.55) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL18476023 0.94 POLB (0.65) 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
EP-2961388-B1 DRUG COMBINATIONS ASTEX PHARMACEUTICALS INC (US) 2019-04-24 EP disclosed