SCHEMBL29623435

SCHEMBL29623435

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)OC(C)C)CC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.74
ERBB2 P04626 5/20 0.71
KDR P35968 2/20 0.62
EPHB4 P54760 2/20 0.62
AURKA O14965 1/20 0.62
INSR P06213 1/20 0.62
FBP1 P09467 1/20 0.62
PDGFRB P09619 1/20 0.62
FLT4 P35916 1/20 0.62
CLK1 P49759 1/20 0.62
TEK Q02763 1/20 0.62
AURKB Q96GD4 1/20 0.62
EPHA2 P29317 1/20 0.60

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
SCHEMBL185426 1.00 EGFR (0.74) EGFRERBB2KDREPHB4AURKA
SCHEMBL14489874 0.93 EGFR (0.80) EGFRERBB2KDREPHB4AURKA
SCHEMBL2782328 0.92 EGFR (0.72) EGFRERBB2KDR
SCHEMBL4967207 0.90 EGFR (0.75) EGFRERBB2KDREPHB4AURKA
SCHEMBL12536499 0.90 EGFR (0.75) EGFRERBB2KDREPHB4AURKA
SCHEMBL4087422 0.90 EGFR (0.75) EGFRERBB2KDREPHB4AURKA
SCHEMBL4699625 0.90 EGFR (0.75) EGFRERBB2KDREPHB4AURKA
SCHEMBL1333601 0.90 EGFR (0.80) EGFRERBB2KDREPHB4AURKA
SCHEMBL1446162 0.89 EGFR (0.74) EGFRERBB2KDREPHB4AURKA
SCHEMBL20573605 0.89 EGFR (0.74) EGFRERBB2KDREPHB4AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 CN disclosed
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed