SCHEMBL24258639

SCHEMBL24258639

COP(=O)(S)OC[C@H]1O[C@@H](n2cnc3c(=O)n4cc[nH]c4nc32)[C@H](O)[C@@H]1OP(=O)(S)OC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.43
▸ P2RY2 P41231 3/20 0.43
▸ SRC P12931 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ DNPH1 O43598 1/20 0.43
▸ PRKAB2 O43741 1/20 0.43
▸ TRPM2 O94759 1/20 0.43
▸ LDHA P00338 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ FBP1 P09467 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ P2RY11 Q96G91 1/20 0.43

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
SCHEMBL24258651 0.83 RNASEL (0.45) RNASEL
SCHEMBL20691346 0.82 NT5E (0.49) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL23619399 0.81 P2RY1 (0.52) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL24258653 0.80 NT5E (0.37) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL23619226 0.79 ADORA1 (0.54) ADORA1RNASEL
SCHEMBL24258563 0.78 FHIT (0.39) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL24504465 0.78 RNASEL (0.41) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL20691370 0.78 RNASEL (0.54) P2RY1P2RY2SRCRNASELP2RX1
SCHEMBL24680655 0.77 NT5E (0.40) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL24258560 0.77 NT5E (0.43) P2RY1P2RY2SRCSMN1; SMN2DNPH1

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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