SCHEMBL21362245

Cn1cnc2c(ncn2[C@@H]2C[C@H](OP(=O)(O)S)CC2OP(=O)(O)OC[C@@H]2C[C@@H](F)[C@H](n3cnc4c(N)ncnc43)O2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	STING1	Q86WV6	4/20	0.44

▸	P2RY1	P47900	3/20	0.42

▸	P2RY2	P41231	2/20	0.42

▸	SRC	P12931	1/20	0.42

▸	P2RX1	P51575	1/20	0.42

▸	P2RX3	P56373	1/20	0.42

▸	P2RX4	Q99571	1/20	0.42

▸	P2RX2	Q9UBL9	1/20	0.42

▸	ALDH1A1	P00352	1/20	0.42

▸	SMN1; SMN2	Q16637	1/20	0.42

▸	RNASEL	Q05823	3/20	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.

Compound	similarity	top predicted	shared targets
SCHEMBL21362212	0.84	RNASEL (0.54)	STING1RNASEL
SCHEMBL21362332	0.84	STING1 (0.39)	STING1
SCHEMBL22990411	0.83	STING1 (0.48)	STING1P2RY1P2RY2SRCP2RX1
SCHEMBL21362274	0.82	RNASEL (0.41)	STING1RNASEL
SCHEMBL24504643	0.82	RNASEL (0.41)	STING1RNASEL
SCHEMBL21362251	0.82	STING1 (0.47)	STING1RNASEL
SCHEMBL21362248	0.80	STING1 (0.47)	STING1P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL21540024	0.79	P2RY1 (0.56)	P2RY1P2RY2SRCP2RX1P2RX3
SCHEMBL22524006	0.79	P2RY1 (0.56)	P2RY1P2RY2SRCP2RX1P2RX3
SCHEMBL20324624	0.79	P2RY1 (0.56)	P2RY1P2RY2SRCP2RX1P2RX3

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2019175776-A1	CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES)	PFIZER INC. (US)	2019-09-19	—	—	WO	disclosed