SCHEMBL29084008

SCHEMBL29084008

COc1cc(Nc2ncc(Br)c(Nc3cc(F)ccc3C(C)(C)O)n2)c(Cl)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 12/20 0.52
▸ IGF1R P08069 12/20 0.52
▸ ALK Q9UM73 12/20 0.52
▸ EGFR P00533 9/20 0.51
▸ CHEK1 O14757 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ NUAK1 O60285 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ STK10 O94804 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ SLC34A2 O95436 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ CD74 P04233 1/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ FES P07332 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ YES1 P07947 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
SCHEMBL29084102 0.94 EGFR (0.55) INSRIGF1RALKEGFRPLK1
SCHEMBL29084091 0.93 EGFR (0.53) INSRIGF1RALKEGFRPLK1
SCHEMBL29083969 0.91 EGFR (0.51) INSRIGF1RALKEGFR
SCHEMBL29084119 0.89 EGFR (0.55) EGFRFGFR1FGFR2FGFR4FGFR3
SCHEMBL29083973 0.89 EGFR (0.62) INSRIGF1RALKEGFRCHEK1
SCHEMBL29084099 0.89 EGFR (0.53) INSRIGF1RALKEGFRCHEK1
SCHEMBL29084031 0.88 ALK (0.58) INSRIGF1RALKEGFRCHEK1
SCHEMBL29083947 0.88 ALK (0.62) INSRIGF1RALKEGFRCHEK1
SCHEMBL29084051 0.87 EGFR (0.56) INSRIGF1RALKEGFRPLK1
SCHEMBL29084082 0.87 EGFR (0.49) INSRIGF1RALKEGFRFGFR3

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-116670127-A EGFR inhibitors and compositions and uses thereof 贝达药业股份有限公司 2023-08-29 — — CN claimed
WO-2022206797-A1 EGFR INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2022-10-06 — — WO claimed
CN-116670127-A EGFR inhibitors and compositions and uses thereof 贝达药业股份有限公司 2023-08-29 — — CN disclosed
WO-2022206797-A1 EGFR INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2022-10-06 — — WO disclosed
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