SCHEMBL22497633

SCHEMBL22497633

C=CC(=O)Nc1cc(Nc2nccc(Nc3ccccc3P(C)(C)=O)n2)ccc1N(C)CCN(C)C

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.77
ALK Q9UM73 6/20 0.77
EML4 Q9HC35 5/20 0.59

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
SCHEMBL22497616 0.87 EGFR (1.00) EGFRALKEML4
SCHEMBL22520143 0.87 EGFR (0.65) EGFRALKEML4
SCHEMBL22520220 0.86 EGFR (0.77) EGFRALKEML4
Hydrochloric Acid SCHEMBL29783050 0.86 EGFR (0.64) EGFRALKEML4
SCHEMBL22497648 0.86 EGFR (0.77) EGFRALKEML4
SCHEMBL13727661 0.77 EGFR (0.69) EGFRALKEML4
SCHEMBL17683002 0.76 EGFR (0.65) EGFRALKEML4
SCHEMBL22520100 0.76 EGFR (0.62) EGFRALKEML4
SCHEMBL20869921 0.76 EGFR (0.65) EGFRALKEML4
SCHEMBL22520065 0.76 EGFR (0.53) EGFRALK

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-2020200191-A1 EGFR INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-10-08 WO disclosed