SCHEMBL22497638

SCHEMBL22497638

C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)ccc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.80
▸ INSR P06213 6/20 0.64
▸ IGF1R P08069 6/20 0.64
▸ ALK Q9UM73 6/20 0.64
▸ JAK2 O60674 2/20 0.63
▸ FGFR1 P11362 2/20 0.63
▸ SRC P12931 2/20 0.63
▸ CHEK1 O14757 1/20 0.63
▸ AURKA O14965 1/20 0.63
▸ NUAK1 O60285 1/20 0.63
▸ STK10 O94804 1/20 0.63
▸ PRKD3 O94806 1/20 0.63
▸ SLC34A2 O95436 1/20 0.63
▸ CHEK2 O96017 1/20 0.63
▸ ABL1 P00519 1/20 0.63
▸ CD74 P04233 1/20 0.63
▸ ERBB2 P04626 1/20 0.63
▸ LCK P06239 1/20 0.63
▸ FYN P06241 1/20 0.63
▸ FES P07332 1/20 0.63

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
SCHEMBL22497608 0.93 EGFR (0.69) EGFRINSRIGF1RALKJAK2
SCHEMBL22520099 0.92 EGFR (0.67) EGFRINSRIGF1RALKJAK2
SCHEMBL22520165 0.89 JAK3 (0.63) EGFRALKJAK2FGFR1SRC
SCHEMBL16780916 0.89 ALK (0.78) EGFRINSRIGF1RALKJAK2
SCHEMBL31196996 0.89 ALK (0.78) EGFRINSRIGF1RALKJAK2
SCHEMBL22497609 0.89 EGFR (0.62) EGFRINSRIGF1RALKFGFR1
SCHEMBL22520082 0.88 EGFR (0.61) EGFRINSRIGF1RALKJAK2
SCHEMBL22497628 0.88 EGFR (0.61) EGFRINSRIGF1RALKJAK2
SCHEMBL22520200 0.87 EGFR (0.88) EGFRINSRIGF1RALKJAK2
SCHEMBL16780721 0.86 ALK (0.74) EGFRINSRIGF1RALKJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113677680-A EGFR inhibitor and composition and application thereof 贝达药业股份有限公司 2021-11-19 — — CN claimed
CN-113677680-A EGFR inhibitor and composition and application thereof 贝达药业股份有限公司 2021-11-19 — — CN disclosed
WO-2020200191-A1 EGFR INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-10-08 — — WO disclosed
WO-2020200191-A1 EGFR INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-10-08 — — WO disclosed
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