SCHEMBL14518679

CC(C)(C)[Si](C)(C)OC1C(COC(=O)c2ccccc2)SC(n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)C1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA3	P0DMS8	19/20	0.57

▸	ADORA1	P30542	10/20	0.57

▸	ADORA2A	P29274	7/20	0.57

▸	PPARG	P37231	2/20	0.57

▸	PPARD	Q03181	2/20	0.57

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
SCHEMBL14543425	0.92	ADORA3 (0.53)	ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5365914	0.88	ADORA3 (0.61)	ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5364016	0.88	ADORA3 (0.61)	ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14518675	0.87	ADORA3 (0.48)	ADORA3ADORA1ADORA2A
SCHEMBL14518678	0.86	ADORA3 (0.70)	ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14518681	0.85	ADORA3 (0.63)	ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14518661	0.85	ADORA3 (0.59)	ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5364017	0.85	ADORA3 (0.73)	ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14518680	0.85	ADORA3 (0.73)	ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14296867	0.84	ADORA3 (0.64)	ADORA3ADORA1ADORA2APPARGPPARD

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
US-7199127-B2	Purine nucleosides	UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US)	2007-04-03	—	—	US	disclosed