SCHEMBL10159441

O=C(N[C@@H]1CCN(c2nc(N[C@H](CO)Cc3ccccc3)c3ncn([C@@H]4C[C@H](N5C(=O)C[C@@H](CO)C5=O)[C@@H](O)[C@H]4O)c3n2)C1)N[C@@H]1CCN(c2nc(N[C@H](CO)Cc3ccccc3)c3ncn([C@@H]4C[C@H](N5C(=O)N[C@@H](CO)C5=O)[C@@H](O)[C@H]4O)c3n2)C1

nearest known ligand 0.44

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA2A	P29274	6/20	0.44

▸	ADORA1	P30542	4/20	0.40

▸	ADORA3	P0DMS8	2/20	0.39

▸	CDK1	P06493	1/20	0.34

▸	CDK5	Q00535	1/20	0.34

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
SCHEMBL10159539	1.00	ADORA2A (0.44)	ADORA2AADORA1ADORA3CDK1CDK5
SCHEMBL3000845	0.95	ADORA2A (0.48)	ADORA2AADORA1ADORA3CDK1CDK5
SCHEMBL3000906	0.95	ADORA2A (0.48)	ADORA2AADORA1ADORA3CDK1CDK5
SCHEMBL1415026	0.95	ADORA2A (0.48)	ADORA2AADORA1ADORA3CDK1CDK5
SCHEMBL13267627	0.92	ADORA2A (0.46)	ADORA2AADORA1ADORA3CDK1CDK5
SCHEMBL10194614	0.91	ADORA2A (0.46)	ADORA2AADORA1ADORA3CDK1CDK5
SCHEMBL10159214	0.91	ADORA2A (0.46)	ADORA2AADORA1ADORA3CDK1CDK5
SCHEMBL10159141	0.91	ADORA2A (0.46)	ADORA2AADORA1ADORA3CDK1CDK5
SCHEMBL2805219	0.88	ADORA2A (0.42)	ADORA2AADORA1ADORA3CDK1CDK5
SCHEMBL2807480	0.88	ADORA2A (0.42)	ADORA2AADORA1ADORA3CDK1CDK5

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-8193164-B2	Organic compounds	NOVARTIS AG (CH)	2012-06-05	—	—	US	disclosed