SCHEMBL29083940

SCHEMBL29083940

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2cccc3c2OC(C)(C)C3)n1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.61
▸ BTK Q06187 1/20 0.48
▸ ALK Q9UM73 4/20 0.47
▸ INSR P06213 3/20 0.47
▸ IGF1R P08069 3/20 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
SCHEMBL29083981 0.90 EGFR (0.62) EGFRBTKALKINSRIGF1R
SCHEMBL29974578 0.89 EGFR (0.62) EGFRBTK
SCHEMBL29084096 0.88 EGFR (0.71) EGFRBTKALKINSRIGF1R
SCHEMBL29083946 0.85 EGFR (0.63) EGFRBTKALKINSRIGF1R
SCHEMBL27091519 0.84 EGFR (0.67) EGFRBTKALKINSRIGF1R
SCHEMBL29084045 0.84 EGFR (0.67) EGFRBTKALKINSRIGF1R
SCHEMBL29084036 0.84 EGFR (0.65) EGFRBTKALKINSRIGF1R
SCHEMBL29084069 0.83 EGFR (0.64) EGFRBTKALKINSRIGF1R
SCHEMBL30860381 0.83 EGFR (0.60) EGFRBTK
SCHEMBL29974926 0.82 EGFR (0.65) EGFRBTKALKINSRIGF1R

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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