SCHEMBL22942158

SCHEMBL22942158

CCc1cc(Nc2ncc(Cl)c(Nc3ccc(C)c(C)c3P(C)C)n2)c(OC)cc1N1CCN2CCCCC2C1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.50
▸ ALK Q9UM73 12/20 0.49
▸ INSR P06213 9/20 0.49
▸ IGF1R P08069 9/20 0.49
▸ EGFR P00533 7/20 0.49

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
SCHEMBL22942226 0.92 EGFR (0.56) ALKINSRIGF1REGFR
SCHEMBL22942153 0.89 EGFR (0.59) LRRK2ALKINSRIGF1REGFR
SCHEMBL22942156 0.88 INSR (0.61) LRRK2ALKINSRIGF1REGFR
SCHEMBL22942225 0.80 EGFR (0.67) ALKINSRIGF1REGFR
SCHEMBL22942149 0.80 INSR (0.69) LRRK2ALKINSRIGF1REGFR
SCHEMBL22942870 0.80 EGFR (0.66) ALKINSRIGF1REGFR
SCHEMBL29559850 0.80 EGFR (0.66) ALKINSRIGF1REGFR
SCHEMBL29560293 0.78 ALK (0.58) ALKINSRIGF1REGFR
SCHEMBL29559735 0.78 EGFR (0.65) EGFR
SCHEMBL22943345 0.78 EGFR (0.56) ALKINSRIGF1REGFR

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-2021018003-A1 EGFR INHIBITOR, COMPOSITION, AND PREPARATION METHOD THEREFOR 贝达药业股份有限公司 2021-02-04 — — WO disclosed
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