SCHEMBL25100705

SCHEMBL25100705

CC[C@@]1(O)CCc2ccc(-n3cc(F)c4cnc(Nc5ccc(N6CCN(C)CC6)cc5)nc43)nc21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 0.67
PLK1 P53350 5/20 0.65
EGFR P00533 1/20 0.65
CYP3A4 P08684 1/20 0.65
MAP3K19 Q56UN5 1/20 0.65
PLK3 Q9H4B4 1/20 0.65
PLK2 Q9NYY3 1/20 0.65

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
SCHEMBL25100699 1.00 WEE1 (0.67) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25101126 1.00 WEE1 (0.67) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25101127 0.95 WEE1 (0.66) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25101077 0.95 WEE1 (0.66) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25101128 0.95 WEE1 (0.66) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25100706 0.93 WEE1 (0.61) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25101124 0.91 WEE1 (0.63) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25100640 0.91 WEE1 (0.63) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25831249 0.89 WEE1 (0.57) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25100629 0.88 WEE1 (0.53) 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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023030388-A1 5-FLUORO-7H-PYRROLO[2,3-D] PYRIMIDINES COMPOUND AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2023-03-09 WO disclosed