SCHEMBL25824507

C=CCn1c(=O)c2cnc(Nc3ccc(NCCNC4CCN(C5CN(c6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)C5)CC4)cc3)nc2n1-c1ccc2c(n1)[C@](O)(CC)CC2

nearest known ligand 0.57

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	WEE1	P30291	20/20	0.57

▸	PLK1	P53350	2/20	0.57

▸	EGFR	P00533	1/20	0.57

▸	CYP3A4	P08684	1/20	0.57

▸	MAP3K19	Q56UN5	1/20	0.57

▸	PLK3	Q9H4B4	1/20	0.57

▸	PLK2	Q9NYY3	1/20	0.57

▸	CRBN	Q96SW2	2/20	0.46

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
SCHEMBL25824206	0.93	WEE1 (0.59)	WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL29987045	0.93	WEE1 (0.65)	WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL29985986	0.93	WEE1 (0.65)	WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25824215	0.93	WEE1 (0.54)	WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25827839	0.93	WEE1 (0.54)	WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25830626	0.93	WEE1 (0.64)	WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25824955	0.91	WEE1 (0.57)	WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25824706	0.90	WEE1 (0.56)	WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25824223	0.90	WEE1 (0.59)	WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL29986092	0.90	WEE1 (0.66)	WEE1PLK1EGFRCYP3A4MAP3K19

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-2023125944-A1	COMPOUND CONTAINING HETEROCYCLIC RING	正大天晴药业集团股份有限公司	2023-07-06	—	—	WO	disclosed