SCHEMBL24258678

SCHEMBL24258678

C=C(OP(=O)(O)OC[C@@H]1CC[C@H](n2cnc3c(=O)n4ccnc4[nH]c32)O1)[C@@H]1[C@@H](COP(=O)(O)S)C[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 1/20 0.39
▸ DTYMK P23919 2/20 0.36
▸ P2RY1 P47900 3/20 0.35
▸ P2RY2 P41231 2/20 0.35
▸ SRC P12931 1/20 0.35
▸ P2RX1 P51575 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ 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
SCHEMBL24258670 0.95 RNASEL (0.36) RNASELDTYMKP2RY1P2RY2SRC
SCHEMBL24258615 0.88 RNASEL (0.38) RNASELDTYMKP2RY1P2RY2SRC
SCHEMBL24258677 0.83 POLB (0.47) RNASELDTYMKP2RY1P2RY2SRC
SCHEMBL24258648 0.82 POLB (0.39) RNASELDTYMKP2RY1P2RY2SRC
SCHEMBL24258636 0.79 RNASEL (0.42) RNASELDTYMKP2RY1P2RY2SRC
SCHEMBL24322080 0.77 DTYMK (0.43) RNASELDTYMKPOLB
SCHEMBL24258614 0.77 POLB (0.49) RNASELDTYMKP2RY1P2RY2SRC
SCHEMBL24258604 0.77 POLB (0.41) RNASELDTYMKP2RY1P2RY2SRC
SCHEMBL21263960 0.77 P2RY1 (0.41) RNASELDTYMKP2RY1P2RY2SRC
SCHEMBL24258666 0.77 POLB (0.37) RNASELDTYMKP2RY1POLBBCHE

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