SCHEMBL29974671

SCHEMBL29974671

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(CC#N)cc1Nc1ncc(Br)c(Nc2cccc3c2C(=O)N(C)C3)n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.57
▸ INSR P06213 4/20 0.48
▸ IGF1R P08069 4/20 0.48
▸ ALK Q9UM73 4/20 0.48

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
SCHEMBL29084143 1.00 EGFR (0.57) EGFRINSRIGF1RALK
SCHEMBL29083961 0.93 EGFR (0.65) EGFRINSRIGF1RALK
SCHEMBL29084089 0.89 EGFR (0.64) EGFRINSRIGF1RALK
SCHEMBL29083946 0.85 EGFR (0.63) EGFRINSRIGF1RALK
SCHEMBL29084058 0.80 EGFR (0.56) EGFRINSRIGF1RALK
SCHEMBL29974268 0.80 EGFR (0.56) EGFRINSRIGF1RALK
SCHEMBL29084044 0.79 EGFR (0.65) EGFRINSRIGF1RALK
SCHEMBL27076089 0.79 EGFR (0.65) EGFRINSRIGF1RALK
SCHEMBL29084169 0.78 EGFR (0.63) EGFRINSRIGF1RALK
SCHEMBL29173232 0.78 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
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
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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