SCHEMBL25837403

SCHEMBL25837403

CC[C@@]1(O)CCc2ccc(N3c4nc(Nc5ccccc5)ncc4C(O)N3CC=C(F)F)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 17/20 0.51
EGFR P00533 2/20 0.42
PLK1 P53350 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAP3K19 Q56UN5 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
PLK2 Q9NYY3 1/20 0.42
MARK3 P27448 3/20 0.35
SGK1 O00141 1/20 0.35
PIK3CD O00329 1/20 0.35
CHEK1 O14757 1/20 0.35
IKBKB O14920 1/20 0.35
MAPK13 O15264 1/20 0.35
NUAK1 O60285 1/20 0.35
CCNT1 O60563 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
CHEK2 O96017 1/20 0.35
ABL1 P00519 1/20 0.35
RAF1 P04049 1/20 0.35

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL25825183 0.77 WEE1 (0.80) WEE1EGFRPLK1CYP3A4MAP3K19
SCHEMBL25819274 0.77 WEE1 (0.80) WEE1EGFRPLK1CYP3A4MAP3K19
SCHEMBL25819065 0.72 WEE1 (0.40) WEE1EGFRPLK1CYP3A4MAP3K19
SCHEMBL25825186 0.72 WEE1 (0.45) WEE1EGFRPLK1CYP3A4MAP3K19
SCHEMBL21349561 0.71 WEE1 (0.64) WEE1EGFRPLK1CYP3A4MAP3K19
SCHEMBL25819275 0.70 WEE1 (0.82) WEE1EGFRPLK1CYP3A4MAP3K19
SCHEMBL24033621 0.70 WEE1 (0.65) WEE1EGFRPLK1CYP3A4MAP3K19
SCHEMBL25819288 0.69 WEE1 (0.50) WEE1EGFRPLK1CYP3A4MAP3K19
SCHEMBL25819292 0.69 WEE1 (0.50) WEE1EGFRPLK1CYP3A4MAP3K19
SCHEMBL25061003 0.68 WEE1 (0.56) WEE1EGFRPLK1CYP3A4MAP3K19

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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