SCHEMBL29083943

SCHEMBL29083943

COc1cc(N2CCN(C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2cccc3c2C(O)CCC3)n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.53
▸ ALK Q9UM73 2/20 0.49
▸ INSR P06213 1/20 0.49
▸ IGF1R P08069 1/20 0.49
▸ JAK3 P52333 1/20 0.47
▸ PTK2 Q05397 1/20 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
SCHEMBL29084085 0.94 EGFR (0.61) EGFRALKINSRIGF1RPTK2
SCHEMBL29083955 0.90 EGFR (0.63) EGFRALKINSRIGF1RPTK2
SCHEMBL29084065 0.87 EGFR (0.53) EGFRALKINSRIGF1RPTK2
SCHEMBL29084133 0.84 EGFR (0.55) EGFRALKINSRIGF1RJAK3
SCHEMBL29083950 0.84 EGFR (0.59) EGFRALKINSRIGF1RPTK2
SCHEMBL29084163 0.81 EGFR (0.62) EGFRALKINSRIGF1RPTK2
SCHEMBL29974885 0.80 EGFR (0.69) EGFRALKINSRIGF1RPTK2
SCHEMBL29084167 0.79 EGFR (0.70) EGFRALKINSRIGF1RPTK2
SCHEMBL22858431 0.79 EGFR (0.58) EGFRALKINSRIGF1R
SCHEMBL29508916 0.79 EGFR (0.58) EGFRALKINSRIGF1R

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 4 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
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
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
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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