SCHEMBL29084045

SCHEMBL29084045

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccccc2C(C)=O)n1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.67
▸ ALK Q9UM73 6/20 0.61
▸ INSR P06213 5/20 0.61
▸ IGF1R P08069 5/20 0.61
▸ BTK Q06187 1/20 0.52
▸ PLK1 P53350 1/20 0.51

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
SCHEMBL29974926 0.93 EGFR (0.65) EGFRALKINSRIGF1RBTK
SCHEMBL29084096 0.91 EGFR (0.71) EGFRALKINSRIGF1RBTK
SCHEMBL29084180 0.88 ALK (0.67) EGFRALKINSRIGF1R
SCHEMBL29084036 0.88 EGFR (0.65) EGFRALKINSRIGF1RBTK
SCHEMBL27091519 0.88 EGFR (0.67) EGFRALKINSRIGF1RBTK
SCHEMBL29084069 0.86 EGFR (0.64) EGFRALKINSRIGF1RBTK
SCHEMBL29083946 0.85 EGFR (0.63) EGFRALKINSRIGF1RBTK
SCHEMBL29084115 0.85 ALK (0.66) EGFRALKINSRIGF1RBTK
SCHEMBL25001347 0.85 EGFR (0.63) EGFRALKINSRIGF1RBTK
SCHEMBL29974578 0.84 EGFR (0.62) 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 1 patent. 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
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