SCHEMBL29084032

SCHEMBL29084032

COC(=O)c1cccc(Nc2nc(Nc3cc(C)c(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc2Br)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.63
▸ INSR P06213 2/20 0.57
▸ IGF1R P08069 2/20 0.57
▸ ALK Q9UM73 2/20 0.57
▸ FGFR3 P22607 1/20 0.54
▸ PLK1 P53350 1/20 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
SCHEMBL29974914 1.00 EGFR (0.63) EGFRINSRIGF1RALKFGFR3
SCHEMBL29083972 0.88 EGFR (0.62) EGFRINSRIGF1RALK
SCHEMBL29083967 0.87 EGFR (0.66) EGFRINSRIGF1RALKPLK1
SCHEMBL29084167 0.84 EGFR (0.70) EGFRINSRIGF1RALK
SCHEMBL29084180 0.84 ALK (0.67) EGFRINSRIGF1RALK
SCHEMBL29084127 0.84 EGFR (0.68) EGFRINSRIGF1RALK
SCHEMBL29084060 0.84 EGFR (0.68) EGFRINSRIGF1RALK
SCHEMBL24178906 0.83 EGFR (0.79) EGFRINSRIGF1RALK
SCHEMBL24178909 0.82 EGFR (0.65) EGFRINSRIGF1RALK
SCHEMBL29083994 0.82 EGFR (0.65) 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 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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