SCHEMBL18288992 — predicted protein targets

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CDK4	P11802	20/20	0.56

▸	CCNE1	P24864	4/20	0.56

▸	CDK1	P06493	3/20	0.56

▸	CCNB1	P14635	3/20	0.56

▸	CDK6	Q00534	16/20	0.46

▸	CCND1	P24385	6/20	0.46

▸	CCND3	P30281	6/20	0.46

▸	CDK2	P24941	10/20	0.45

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
SCHEMBL18288744	0.86	CDK4 (0.55)	CDK4CCNE1CDK1CCNB1CDK6
SCHEMBL18288760	0.86	CDK4 (0.55)	CDK4CCNE1CDK1CCNB1CDK6
SCHEMBL18288902	0.85	CDK4 (0.56)	CDK4CCNE1CDK1CCNB1CDK6
SCHEMBL18288742	0.82	CDK4 (0.45)	CDK4CCNE1CDK1CCNB1CDK6
SCHEMBL31066374	0.76	CDK4 (0.54)	CDK4CCNE1CDK1CCNB1CDK6
SCHEMBL15252502	0.76	CDK4 (0.54)	CDK4CCNE1CDK1CCNB1CDK6
SCHEMBL18288796	0.75	CDK4 (0.56)	CDK4CCNE1CDK1CCNB1CDK6
SCHEMBL19089070	0.74	CDK4 (0.55)	CDK4CCNE1CDK1CCNB1CDK6
SCHEMBL18823109	0.74	CDK4 (0.56)	CDK4CCNE1CDK1CDK6CCND3
SCHEMBL29402856	0.73	CDK4 (0.55)	CDK4CCNE1CDK1CCNB1CDK6

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-2016192630-A1	COMPOUND HAVING KINASE INHIBITING ACTIVITY, METHOD OF PREPARING SAME, AND USE OF SAME	中国科学院上海药物研究所	2016-12-08	—	—	WO	disclosed