SCHEMBL23641783

SCHEMBL23641783

CNc1nc(CO)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)S)C[C@@H](O)C1OP(=O)(S)OC[C@@H]1CC[C@H](n2cc3c4c(ncnc42)NCCC3)O1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ NT5E P21589 3/20 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
SCHEMBL23641838 0.85 RNASEL (0.41) —
SCHEMBL23641810 0.81 RNASEL (0.41) —
SCHEMBL23641743 0.80 TAS1R3 (0.40) TAS1R3TAS1R1
SCHEMBL23641673 0.78 P2RX3 (0.38) P2RY1TAS1R3TAS1R1NT5E
SCHEMBL23641845 0.78 P2RX3 (0.44) —
SCHEMBL23641683 0.78 — —
SCHEMBL26558641 0.76 AURKA (0.30) —
SCHEMBL23641858 0.74 AURKA (0.31) TAS1R3TAS1R1NT5E
SCHEMBL23641755 0.72 CASP6 (0.31) —
SCHEMBL23641750 0.72 P2RY2 (0.36) —

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-3848054-A1 NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF Daiichi Sankyo Company, Limited (JP) 2021-07-14 — — EP disclosed
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