SCHEMBL22942226

SCHEMBL22942226

CCc1cc(Nc2ncc(Cl)c(Nc3ccc(C)c(C)c3P(C)C)n2)c(OC)cc1N1CCC(N2CCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.56
▸ INSR P06213 10/20 0.54
▸ IGF1R P08069 10/20 0.54
▸ ALK Q9UM73 10/20 0.54
▸ PLK1 P53350 1/20 0.47

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
SCHEMBL22942156 0.94 INSR (0.61) EGFRINSRIGF1RALKPLK1
SCHEMBL22942158 0.92 LRRK2 (0.50) EGFRINSRIGF1RALK
SCHEMBL22942225 0.88 EGFR (0.67) EGFRINSRIGF1RALK
SCHEMBL29559850 0.88 EGFR (0.66) EGFRINSRIGF1RALK
SCHEMBL22942870 0.88 EGFR (0.66) EGFRINSRIGF1RALK
SCHEMBL22942149 0.86 INSR (0.69) EGFRINSRIGF1RALKPLK1
SCHEMBL29559735 0.85 EGFR (0.65) EGFR
SCHEMBL22942163 0.84 INSR (0.60) EGFRINSRIGF1RALKPLK1
SCHEMBL22942144 0.83 INSR (0.69) EGFRINSRIGF1RALKPLK1
SCHEMBL24816789 0.82 EGFR (0.65) EGFRINSRIGF1RALKPLK1

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
Send feedback