SCHEMBL19663262

SCHEMBL19663262

CC(C)(I)SSCO[C@@H]1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
P2RY6 Q15077 2/20 0.54
P2RY2 P41231 1/20 0.54
P2RY4 P51582 1/20 0.54
FUT5 Q11128 1/20 0.53
TGM2 P21980 1/20 0.49
KRAS P01116 2/20 0.47
POLG P54098 1/20 0.45
NT5E P21589 1/20 0.45
PNP P00491 1/20 0.44
ENPP1 P22413 1/20 0.43
P2RY1 P47900 1/20 0.43
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
P2RY11 Q96G91 1/20 0.43
P2RX4 Q99571 1/20 0.43
DCPS Q96C86 1/20 0.43
DTYMK P23919 2/20 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
SCHEMBL24913409 1.00 POLB (0.57) POLBP2RY6P2RY2P2RY4FUT5
SCHEMBL21787190 0.96 POLB (0.58) POLBP2RY6P2RY2P2RY4FUT5
SCHEMBL23734250 0.96 POLB (0.58) POLBP2RY6P2RY2P2RY4FUT5
SCHEMBL23734156 0.96 POLB (0.58) POLBP2RY6P2RY2P2RY4FUT5
SCHEMBL24913408 0.95 POLB (0.56) POLBP2RY6P2RY2P2RY4FUT5
SCHEMBL19662616 0.93 POLB (0.55) POLBP2RY6P2RY2P2RY4FUT5
SCHEMBL18844553 0.91 POLB (0.59) POLBP2RY6P2RY2P2RY4FUT5
SCHEMBL24895768 0.91 POLB (0.59) POLBP2RY6P2RY2P2RY4FUT5
SCHEMBL19175178 0.91 POLB (0.59) POLBP2RY6P2RY2P2RY4FUT5
SCHEMBL18844550 0.91 POLB (0.59) POLBP2RY6P2RY2P2RY4FUT5

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-2017205336-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-30 WO disclosed