SCHEMBL24258668

SCHEMBL24258668

Nc1ncnc2c1ncn2[C@@H]1C[C@H](COP(=O)(O)S)[C@H]1COP(=O)(S)OC[C@@H]1C[C@@H](F)[C@H](n2cnc3c2ncn2ccnc32)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.42
▸ TAS1R1 Q7RTX1 2/20 0.42
▸ FHIT P49789 5/20 0.42
▸ RNASEL Q05823 1/20 0.41
▸ P2RY1 P47900 3/20 0.40
▸ SRC P12931 2/20 0.40
▸ P2RY2 P41231 2/20 0.40
▸ P2RX3 P56373 2/20 0.40
▸ P2RX2 Q9UBL9 2/20 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
▸ ADORA1 P30542 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ KCNH2 Q12809 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
SCHEMBL24258656 1.00 TAS1R3 (0.42) TAS1R3TAS1R1FHITRNASELP2RY1
SCHEMBL24258561 0.93 BCHE (0.42) TAS1R3TAS1R1FHITRNASELP2RY1
SCHEMBL24258669 0.92 TAS1R3 (0.42) TAS1R3TAS1R1FHITRNASELP2RY1
SCHEMBL24444145 0.91 POLB (0.46) TAS1R3TAS1R1FHITRNASELP2RY1
SCHEMBL24258606 0.89 POLB (0.42) TAS1R3TAS1R1FHITRNASELP2RY1
SCHEMBL20324624 0.82 P2RY1 (0.56) TAS1R3TAS1R1P2RY1SRCP2RY2
SCHEMBL21540024 0.82 P2RY1 (0.56) TAS1R3TAS1R1P2RY1SRCP2RY2
SCHEMBL20224841 0.82 P2RY1 (0.56) TAS1R3TAS1R1P2RY1SRCP2RY2
SCHEMBL22524006 0.82 P2RY1 (0.56) TAS1R3TAS1R1P2RY1SRCP2RY2
SCHEMBL20327548 0.82 P2RY1 (0.56) TAS1R3TAS1R1P2RY1SRCP2RY2

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
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