SCHEMBL22497608

SCHEMBL22497608

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.69
▸ ALK Q9UM73 7/20 0.62
▸ INSR P06213 6/20 0.62
▸ IGF1R P08069 6/20 0.62
▸ JAK2 O60674 2/20 0.56
▸ JAK1 P23458 1/20 0.56
▸ TYK2 P29597 1/20 0.56
▸ JAK3 P52333 1/20 0.56
▸ SRC P12931 2/20 0.54
▸ CHEK1 O14757 1/20 0.53
▸ AURKA O14965 1/20 0.53
▸ NUAK1 O60285 1/20 0.53
▸ STK10 O94804 1/20 0.53
▸ PRKD3 O94806 1/20 0.53
▸ SLC34A2 O95436 1/20 0.53
▸ CHEK2 O96017 1/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ CD74 P04233 1/20 0.53
▸ ERBB2 P04626 1/20 0.53
▸ LCK P06239 1/20 0.53

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
SCHEMBL22520099 0.93 EGFR (0.67) EGFRALKINSRIGF1RJAK2
SCHEMBL22497638 0.93 EGFR (0.80) EGFRALKINSRIGF1RJAK2
SCHEMBL29253665 0.89 JAK1 (0.57) EGFRJAK2JAK1TYK2JAK3
SCHEMBL22497639 0.89 ALK (0.71) EGFRALKINSRIGF1RJAK2
SCHEMBL22497628 0.88 EGFR (0.61) EGFRALKINSRIGF1RJAK2
SCHEMBL22520208 0.88 EGFR (0.76) EGFRALKINSRIGF1RJAK2
SCHEMBL22520166 0.86 EGFR (0.76) EGFRALKINSRIGF1RJAK2
SCHEMBL19027408 0.86 ALK (0.58) EGFRALKINSRIGF1RJAK2
SCHEMBL22520165 0.81 JAK3 (0.63) EGFRALKJAK2JAK1TYK2
SCHEMBL29253766 0.81 JAK3 (0.56) EGFRJAK2JAK1TYK2JAK3

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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