SCHEMBL20692012

SCHEMBL20692012

COC(=O)c1cccc2c1nnn2[C@@H]1O[C@H](COP(O)(=S)OC)[C@@H](OP(=S)(OCCC#N)OC[C@H]2C[C@@H](n3cnc4c(Cl)ncnc43)C2)[C@H]1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 3/20 0.32
▸ P2RX1 P51575 1/20 0.30
▸ P2RX3 P56373 1/20 0.30
▸ P2RX4 Q99571 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30
▸ P2RX2 Q9UBL9 1/20 0.30

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
SCHEMBL20691457 0.85 DNPH1 (0.32) DNPH1
SCHEMBL20691327 0.82 SLC29A1 (0.31) DNPH1
SCHEMBL24680698 0.80 DNPH1 (0.33) DNPH1
SCHEMBL25688857 0.79 P2RY12 (0.38) DNPH1P2RX3P2RX4P2RX2
SCHEMBL25688845 0.75 P2RY12 (0.36) DNPH1
SCHEMBL20691314 0.75 P2RY12 (0.36) DNPH1
SCHEMBL22219998 0.74 P2RY12 (0.35) DNPH1P2RX3P2RX4P2RX2
SCHEMBL25693011 0.73 P2RY12 (0.34) DNPH1
SCHEMBL25688848 0.73 P2RY12 (0.40) DNPH1P2RX3P2RX4P2RX2
SCHEMBL24321986 0.72 P2RY12 (0.37) DNPH1

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-2019023459-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-31 — — WO disclosed
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