SCHEMBL3797209 — predicted protein targets

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	HSP90AA1	P07900	17/20	0.41

▸	CDK1	P06493	2/20	0.40

▸	CCNB1	P14635	2/20	0.40

▸	CCNE1	P24864	2/20	0.40

▸	CDK2	P24941	2/20	0.40

▸	HSP90AB1	P08238	6/20	0.36

▸	ADORA2A	P29274	1/20	0.34

▸	ADORA1	P30542	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
SCHEMBL13475404	0.78	MEN1 (0.36)	HSP90AA1HSP90AB1
SCHEMBL3804738	0.77	HSP90AA1 (0.54)	HSP90AA1HSP90AB1ADORA2A
SCHEMBL3803409	0.75	HSP90AA1 (0.54)	HSP90AA1HSP90AB1
SCHEMBL3799357	0.75	NR4A2 (0.43)	HSP90AA1
SCHEMBL13422143	0.74	HSP90AA1 (0.46)	HSP90AA1ADORA2AADORA1
SCHEMBL29503417	0.74	ADK (0.46)	ADORA2AADORA1
SCHEMBL16236999	0.74	ADK (0.46)	ADORA2AADORA1
SCHEMBL3795601	0.71	HSP90AB1 (0.66)	HSP90AA1HSP90AB1
SCHEMBL312076	0.71	HSP90AA1 (0.75)	HSP90AA1HSP90AB1
SCHEMBL312524	0.71	HSP90AA1 (0.36)	HSP90AA1HSP90AB1

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-2010117425-A1	CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE	BIOGEN IDEC MA INC. (US)	2010-10-14	—	—	WO	disclosed