SCHEMBL29084075

SCHEMBL29084075

CCc1cc(Nc2ncc(Br)c(Nc3cc(F)c(F)cc3C(C)(C)O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.64
▸ INSR P06213 2/20 0.52
▸ IGF1R P08069 2/20 0.52
▸ ALK Q9UM73 2/20 0.52

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
SCHEMBL29084086 0.88 EGFR (0.53) EGFRINSRIGF1RALK
SCHEMBL29084016 0.86 EGFR (0.57) EGFRINSRIGF1RALK
SCHEMBL29974268 0.85 EGFR (0.56) EGFRINSRIGF1RALK
SCHEMBL29084058 0.85 EGFR (0.56) EGFRINSRIGF1RALK
SCHEMBL29084102 0.84 EGFR (0.55) EGFRINSRIGF1RALK
SCHEMBL29083974 0.84 EGFR (0.56) EGFRINSRIGF1RALK
SCHEMBL29084114 0.84 EGFR (0.54) EGFR
SCHEMBL22821986 0.83 EGFR (0.81) EGFR
SCHEMBL29083979 0.83 EGFR (0.61) EGFRINSRIGF1RALK
SCHEMBL29975277 0.83 EGFR (0.66) EGFRINSRIGF1RALK

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 2 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 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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