SCHEMBL20908779

SCHEMBL20908779

COC[C@H]1O[C@@H](n2cnc3c(=O)n4ccnc4[nH]c32)[C@H](O)[C@@H]1OP(=O)(S)OC[C@@H]1C[C@@H](F)[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 5/20 0.42
▸ P2RY2 P41231 3/20 0.42
▸ SRC P12931 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ DNPH1 O43598 1/20 0.42
▸ PRKAB2 O43741 1/20 0.42
▸ TRPM2 O94759 1/20 0.42
▸ LDHA P00338 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ FBP1 P09467 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ P2RY11 Q96G91 1/20 0.42

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
SCHEMBL25691489 0.96 P2RY1 (0.43) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL25691491 0.89 RNASEL (0.51) P2RY1P2RY2SRCSMN1; SMN2RNASEL
SCHEMBL20908780 0.84 DTYMK (0.44) P2RY1RNASELDTYMK
SCHEMBL24321956 0.81 FHIT (0.37) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL22080175 0.80 NT5E (0.49) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL24258651 0.80 RNASEL (0.45) RNASEL
SCHEMBL24258653 0.79 NT5E (0.37) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL23476877 0.78 NT5E (0.52) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL22080564 0.77 NT5E (0.51) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL22080123 0.77 NT5E (0.51) 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
WO-2019074887-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-18 — — WO disclosed
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