SCHEMBL20792290

SCHEMBL20792290

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](=O)O)[C@@H](OP(=O)(S)OC[C@H]2O[C@@H](n3nnc4c(C(F)(F)F)cccc43)C[C@@H]2O)[C@H]1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ ENPP1 P22413 3/20 0.42
▸ P2RY1 P47900 2/20 0.42
▸ NT5E P21589 1/20 0.41
▸ DTYMK P23919 4/20 0.41
▸ NADK O95544 1/20 0.41
▸ IMPDH2 P12268 1/20 0.40
▸ FHIT P49789 1/20 0.40
▸ DNPH1 O43598 1/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ TRPM2 O94759 1/20 0.40
▸ LDHA P00338 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ P2RY2 P41231 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PDE4D Q08499 1/20 0.40

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
SCHEMBL20792565 0.91 POLB (0.40) POLBENPP1P2RY1NT5EDTYMK
SCHEMBL22219944 0.83 POLB (0.51) POLBENPP1P2RY1NT5EDTYMK
SCHEMBL22219942 0.83 POLB (0.44) POLBENPP1P2RY1NT5EDTYMK
SCHEMBL22220040 0.82 POLB (0.40) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL20792516 0.79 RNASEL (0.51) DTYMKNADK
SCHEMBL22219781 0.79 RNASEL (0.46) POLBENPP1P2RY1NT5EDTYMK
SCHEMBL22220038 0.76 NT5E (0.40) P2RY1NT5ENADKIMPDH2FHIT
SCHEMBL22220036 0.76 NT5E (0.40) P2RY1NT5ENADKIMPDH2FHIT
SCHEMBL22220033 0.75 POLB (0.42) POLBENPP1P2RY1FHITDNPH1
SCHEMBL22080569 0.75 STING1 (0.46) —

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-2019046498-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-03-07 — — WO disclosed
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