SCHEMBL20691946

COC(=O)c1cccc2c1nnn2[C@@H]1C[C@H](COP(=S)(OCCC#N)O[C@H]2C[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)O[C@@H]2CO)[C@H]1CO

nearest known ligand 0.36

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	P2RY12	Q9H244	5/20	0.34

▸	ADORA1	P30542	3/20	0.33

▸	P2RY2	P41231	1/20	0.33

▸	P2RY1	P47900	1/20	0.33

▸	P2RY6	Q15077	1/20	0.33

▸	DNPH1	O43598	1/20	0.33

▸	POLB	P06746	1/20	0.32

▸	GAPDH	P04406	1/20	0.32

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.

Compound	similarity	top predicted	shared targets
SCHEMBL20691314	0.90	P2RY12 (0.36)	P2RY12ADORA1P2RY2P2RY1P2RY6
SCHEMBL20691331	0.85	P2RY12 (0.38)	P2RY12ADORA1P2RY2P2RY1P2RY6
SCHEMBL20691312	0.84	TYMP (0.39)	P2RY12ADORA1P2RY2P2RY1P2RY6
SCHEMBL25688857	0.79	P2RY12 (0.38)	P2RY12ADORA1P2RY2P2RY1P2RY6
SCHEMBL25688845	0.79	P2RY12 (0.36)	P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL20691327	0.79	SLC29A1 (0.31)	DNPH1
SCHEMBL20691457	0.79	DNPH1 (0.32)	DNPH1
SCHEMBL22858497	0.78	P2RY12 (0.35)	P2RY12ADORA1P2RY1POLB
SCHEMBL25693011	0.78	P2RY12 (0.34)	P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL24321986	0.77	P2RY12 (0.37)	P2RY12ADORA1P2RY2P2RY1P2RY6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-3658565-B1	CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS	BRISTOL MYERS SQUIBB CO (US)	2022-11-09	—	—	EP	disclosed
WO-2019023459-A1	CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS	BRISTOL-MYERS SQUIBB COMPANY (US)	2019-01-31	—	—	WO	disclosed