SCHEMBL23641750

SCHEMBL23641750

C[P@](=O)(O)OC[C@@H]1C[C@@H](OP(=O)(S)OC[C@@H]2CC[C@H](n3cc4c5c(ncnc53)NCCC4)O2)[C@H](n2ccc(=O)[nH]c2=O)O1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 12/20 0.36
▸ P2RY6 Q15077 7/20 0.36
▸ P2RY4 P51582 6/20 0.36
▸ F2 P00734 1/20 0.36
▸ RNASEL Q05823 2/20 0.35
▸ P2RY14 Q15391 2/20 0.35
▸ ENPP1 P22413 1/20 0.34

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
SCHEMBL23641902 0.86 F2 (0.34) P2RY2P2RY6P2RY4F2RNASEL
SCHEMBL23641755 0.83 CASP6 (0.31) —
SCHEMBL23641683 0.79 — —
SCHEMBL26558641 0.77 AURKA (0.30) —
SCHEMBL23641845 0.73 P2RX3 (0.44) RNASEL
SCHEMBL24191618 0.72 RNASEL (0.46) P2RY2P2RY6P2RY4RNASELP2RY14
SCHEMBL23641851 0.71 CASP6 (0.32) —
SCHEMBL23641850 0.70 FHIT (0.40) P2RY2RNASEL
SCHEMBL23641868 0.70 — —
SCHEMBL24861152 0.70 — —

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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