SCHEMBL29083994

SCHEMBL29083994

C=C(C)c1ccccc1Nc1nc(Nc2cc(C)c(N3CCC(N4CCN(C)CC4)CC3)cc2OC)ncc1Br

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.65
▸ ALK Q9UM73 7/20 0.63
▸ INSR P06213 6/20 0.63
▸ IGF1R P08069 6/20 0.63

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
SCHEMBL29084180 0.93 ALK (0.67) EGFRALKINSRIGF1R
SCHEMBL29083967 0.92 EGFR (0.66) EGFRALKINSRIGF1R
SCHEMBL29084167 0.91 EGFR (0.70) EGFRALKINSRIGF1R
SCHEMBL29084060 0.90 EGFR (0.68) EGFRALKINSRIGF1R
SCHEMBL29084027 0.88 EGFR (0.65) EGFRALKINSRIGF1R
SCHEMBL29083944 0.88 INSR (0.67) EGFRALKINSRIGF1R
SCHEMBL29084120 0.88 EGFR (0.64) EGFRALKINSRIGF1R
SCHEMBL29084127 0.87 EGFR (0.68) EGFRALKINSRIGF1R
SCHEMBL29084078 0.87 EGFR (0.65) EGFRALKINSRIGF1R
SCHEMBL29084070 0.86 EGFR (0.64) 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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