SCHEMBL21601036 — predicted protein targets

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	EGFR	P00533	18/20	0.47

▸	IGF1R	P08069	1/20	0.47

▸	KCNH2	Q12809	1/20	0.47

▸	CDK2	P24941	2/20	0.40

▸	CDK7	P50613	2/20	0.40

▸	CCNH	P51946	2/20	0.40

▸	MNAT1	P51948	2/20	0.40

▸	CDK1	P06493	1/20	0.40

▸	CCNB1	P14635	1/20	0.40

▸	CCNE1	P24864	1/20	0.40

▸	FLT3	P36888	1/20	0.40

▸	CCNT1	O60563	1/20	0.39

▸	CCNA2	P20248	1/20	0.39

▸	CDK9	P50750	1/20	0.39

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
SCHEMBL21600995	0.99	EGFR (0.47)	EGFRIGF1RKCNH2CDK2CDK7
SCHEMBL21601035	0.90	EGFR (0.49)	EGFRIGF1RKCNH2CDK2CDK7
SCHEMBL21601029	0.89	EGFR (0.51)	EGFRIGF1RKCNH2CDK2CDK7
SCHEMBL21601002	0.89	EGFR (0.48)	EGFRIGF1RKCNH2CDK2CDK7
SCHEMBL21600998	0.89	EGFR (0.49)	EGFRIGF1RKCNH2CDK2CDK7
SCHEMBL21601034	0.86	CDK7 (0.54)	EGFRIGF1RKCNH2CDK2CDK7
SCHEMBL21600996	0.85	CDK7 (0.53)	EGFRIGF1RKCNH2CDK2CDK7
SCHEMBL21600860	0.78	EGFR (0.53)	EGFRIGF1RKCNH2CDK2CDK7
SCHEMBL23606378	0.78	PLK1 (0.50)	EGFRIGF1R
SCHEMBL30044353	0.78	PLK1 (0.50)	EGFRIGF1R

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-2019242689-A1	CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF	北京赛特明强医药科技有限公司	2019-12-26	—	—	WO	disclosed