SCHEMBL29484155

SCHEMBL29484155

C#Cc1cccc(Nc2ncnc3cc(F)c(F)cc23)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.69
GAK O14976 3/20 0.69
FBP1 P09467 2/20 0.69
ALDH1A1 P00352 1/20 0.69
MAPT P10636 1/20 0.69
RIPK2 O43353 2/20 0.64
BUB1 O43683 2/20 0.64
STK10 O94804 2/20 0.64
MAP3K1 Q13233 2/20 0.64
PIP4K2C Q8TBX8 2/20 0.64
SLK Q9H2G2 2/20 0.64
CARS1 P49589 1/20 0.64
ERBB2 P04626 3/20 0.62
ABCG2 Q9UNQ0 3/20 0.62
ERBB4 Q15303 2/20 0.62
AURKA O14965 2/20 0.62
PLK4 O00444 1/20 0.62
CIT O14578 1/20 0.62
EPHB6 O15197 1/20 0.62
SLC22A1 O15245 1/20 0.62

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
SCHEMBL28407487 1.00 EGFR (0.69) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL1766075 0.90 EGFR (0.64) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL29614991 0.85 EGFR (0.58) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL1766082 0.85 EGFR (0.58) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL868020 0.85 EGFR (0.68) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL2607975 0.85 EGFR (0.72) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL256396 0.85 EGFR (0.69) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL4356364 0.85 EGFR (0.69) EGFRGAKFBP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7665701 0.84 EGFR (0.67) EGFRGAKFBP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL3873473 0.84 EGFR (0.67) EGFRGAKFBP1ALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111763214-B Preparation method of icotinib 苏州富士莱医药股份有限公司 2022-03-15 CN claimed
WO-2022032943-A1 PREPARATION METHOD FOR ICOTINIB 苏州富士莱医药股份有限公司 2022-02-17 WO claimed
CN-111763214-B Preparation method of icotinib 苏州富士莱医药股份有限公司 2022-03-15 CN disclosed
CN-111763214-B Preparation method of icotinib 苏州富士莱医药股份有限公司 2022-03-15 CN disclosed
WO-2022032943-A1 PREPARATION METHOD FOR ICOTINIB 苏州富士莱医药股份有限公司 2022-02-17 WO disclosed