SCHEMBL19966523 — predicted protein targets

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CDK4	P11802	19/20	0.72

▸	CDK6	Q00534	18/20	0.72

▸	CDK2	P24941	4/20	0.72

▸	CDK5	Q00535	3/20	0.72

▸	CCND3	P30281	15/20	0.68

▸	CCND1	P24385	1/20	0.61

▸	CCNA2	P20248	9/20	0.57

▸	CDK7	P50613	2/20	0.57

▸	CDK9	P50750	2/20	0.57

▸	CCNH	P51946	2/20	0.57

▸	CCNK	O75909	1/20	0.57

▸	CDK5R1	Q15078	1/20	0.57

▸	CDK1	P06493	8/20	0.57

▸	CCNT1	O60563	1/20	0.54

▸	CCNE1	P24864	1/20	0.54

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
SCHEMBL17477176	0.90	CDK6 (0.71)	CDK4CDK6CDK2CDK5CCND3
SCHEMBL17477153	0.90	CDK6 (0.71)	CDK4CDK6CDK2CDK5CCND3
SCHEMBL30926572	0.90	CDK6 (0.71)	CDK4CDK6CDK2CDK5CCND3
SCHEMBL17477154	0.90	CDK6 (0.71)	CDK4CDK6CDK2CDK5CCND3
SCHEMBL19966385	0.87	CDK4 (0.71)	CDK4CDK6CDK2CDK5CCND3
SCHEMBL19966387	0.87	CDK6 (0.69)	CDK4CDK6CDK2CCND3CCND1
SCHEMBL17488828	0.87	CDK4 (0.69)	CDK4CDK6CDK2CDK5CCND3
SCHEMBL17489242	0.85	CDK6 (0.65)	CDK4CDK6CDK2CDK5CCND3
SCHEMBL20758528	0.84	CDK4 (1.00)	CDK4CDK6CDK2CDK5CCND3
SCHEMBL17488770	0.83	CDK4 (0.64)	CDK4CDK6CDK2CDK5CCND3

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-2018045957-A1	CDK4/6 INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF	江苏豪森药业集团有限公司	2018-03-15	—	—	WO	disclosed