SCHEMBL24258669

SCHEMBL24258669

O=P(O)(S)OC[C@H]1C[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]1COP(=O)(S)OC[C@@H]1C[C@@H](F)[C@H](n2cnc3c2ncn2ccnc32)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.42
▸ TAS1R1 Q7RTX1 2/20 0.42
▸ P2RX3 P56373 1/20 0.40
▸ P2RX2 Q9UBL9 1/20 0.40
▸ FHIT P49789 5/20 0.33
▸ RNASEL Q05823 1/20 0.32
▸ BCHE P06276 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ NT5E P21589 2/20 0.32
▸ TYMP P19971 1/20 0.31
▸ DNPH1 O43598 1/20 0.31
▸ PRKAB2 O43741 1/20 0.31
▸ TRPM2 O94759 1/20 0.31
▸ LDHA P00338 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ FBP1 P09467 1/20 0.31
▸ SRC P12931 1/20 0.31

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
SCHEMBL24258668 0.92 TAS1R3 (0.42) TAS1R3TAS1R1P2RX3P2RX2FHIT
SCHEMBL24258656 0.92 TAS1R3 (0.42) TAS1R3TAS1R1P2RX3P2RX2FHIT
SCHEMBL24258561 0.85 BCHE (0.42) TAS1R3TAS1R1P2RX3P2RX2FHIT
SCHEMBL24444145 0.83 POLB (0.46) TAS1R3TAS1R1P2RX3P2RX2FHIT
SCHEMBL24258606 0.81 POLB (0.42) TAS1R3TAS1R1P2RX3P2RX2FHIT
SCHEMBL21263953 0.74 TAS1R3 (0.42) TAS1R3TAS1R1P2RX3P2RX2FHIT
SCHEMBL22524006 0.73 P2RY1 (0.56) TAS1R3TAS1R1P2RX3P2RX2BCHE
SCHEMBL21540024 0.73 P2RY1 (0.56) TAS1R3TAS1R1P2RX3P2RX2BCHE
SCHEMBL20324624 0.73 P2RY1 (0.56) TAS1R3TAS1R1P2RX3P2RX2BCHE
SCHEMBL20224841 0.73 P2RY1 (0.56) TAS1R3TAS1R1P2RX3P2RX2BCHE

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-3752516-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-02-23 — — EP disclosed
Send feedback