SCHEMBL29257980

SCHEMBL29257980

COc1cc(N2CCNCC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccc(F)cc2P(C)(C)=O)n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.61
▸ BTK Q06187 1/20 0.59
▸ MAP4K1 Q92918 1/20 0.50
▸ ALK Q9UM73 3/20 0.49
▸ INSR P06213 1/20 0.44
▸ IGF1R P08069 1/20 0.44

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
SCHEMBL31155376 0.94 EGFR (0.64) EGFRBTKALKINSRIGF1R
SCHEMBL29257776 0.93 EGFR (0.61) EGFRBTKMAP4K1
SCHEMBL29257836 0.91 EGFR (0.73) EGFRBTKMAP4K1ALKINSR
SCHEMBL29257850 0.91 EGFR (0.59) EGFRBTKMAP4K1ALKINSR
SCHEMBL31155401 0.89 EGFR (0.57) EGFRBTKALKINSRIGF1R
SCHEMBL31155499 0.88 EGFR (0.56) EGFRBTKALKINSRIGF1R
Hydrochloric Acid SCHEMBL31155447 0.88 EGFR (0.56) EGFRBTKALKINSRIGF1R
SCHEMBL29257921 0.87 EGFR (0.56) EGFRBTK
SCHEMBL29094520 0.86 EGFR (0.63) EGFRBTKMAP4K1
SCHEMBL25001408 0.85 EGFR (0.64) EGFR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116888108-B Novel EGFR degradation agent 上海齐鲁制药研究中心有限公司 2024-04-19 — — CN disclosed
CN-116888108-A Novel EGFR degradation agent 上海齐鲁制药研究中心有限公司 2023-10-13 — — CN disclosed
WO-2022194269-A1 NOVEL EGFR DEGRADATION AGENT 上海齐鲁制药研究中心有限公司 2022-09-22 — — WO disclosed
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