SCHEMBL24258563

SCHEMBL24258563

COC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@@H]1COP(=O)(S)OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(=O)n4cc[nH]c4nc32)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FHIT P49789 5/20 0.39
▸ BCHE P06276 1/20 0.39
▸ P2RY1 P47900 4/20 0.38
▸ P2RY2 P41231 3/20 0.38
▸ SRC P12931 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ DNPH1 O43598 1/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ TRPM2 O94759 1/20 0.38
▸ LDHA P00338 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38

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
SCHEMBL24444137 0.81 POLB (0.42) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL24258639 0.78 P2RY1 (0.43) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL24258652 0.78 FHIT (0.42) FHITP2RY1RNASEL
SCHEMBL24504465 0.78 RNASEL (0.41) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL22571157 0.76 P2RY1 (0.54) FHITBCHEP2RY1P2RY2SRC
SCHEMBL24258561 0.75 BCHE (0.42) FHITBCHEP2RY1P2RY2SRC
SCHEMBL24504388 0.74 RNASEL (0.42) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL24258539 0.72 SLC29A1 (0.42) ALDH1A1
SCHEMBL22351931 0.72 P2RY1 (0.59) BCHEP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL20763149 0.72 P2RY1 (0.59) BCHEP2RY1P2RY2SRCSMN1; SMN2

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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