SCHEMBL29084069

SCHEMBL29084069

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2[c]cccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.64
▸ BTK Q06187 1/20 0.48
▸ INSR P06213 5/20 0.48
▸ IGF1R P08069 5/20 0.48
▸ ALK Q9UM73 5/20 0.48
▸ PLK1 P53350 1/20 0.46

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
SCHEMBL29084096 0.90 EGFR (0.71) EGFRBTKINSRIGF1RALK
SCHEMBL29083963 0.88 EGFR (0.65) EGFRBTKINSRIGF1RALK
SCHEMBL29084045 0.86 EGFR (0.67) EGFRBTKINSRIGF1RALK
SCHEMBL29084036 0.86 EGFR (0.65) EGFRBTKINSRIGF1RALK
SCHEMBL27091519 0.86 EGFR (0.67) EGFRBTKINSRIGF1RALK
SCHEMBL29083941 0.84 EGFR (0.55) EGFRBTKINSRIGF1RALK
SCHEMBL23442003 0.84 EGFR (0.61) EGFRBTKINSRIGF1RALK
SCHEMBL29974926 0.84 EGFR (0.65) EGFRBTKINSRIGF1RALK
SCHEMBL29974578 0.83 EGFR (0.62) EGFRBTK
SCHEMBL30860381 0.83 EGFR (0.60) EGFRBTK

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 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
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