SCHEMBL29817882

SCHEMBL29817882

COc1ccccc1C(=O)NCc1ccc(-c2cn(C(C)C)c3ncnc(N)c23)cc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.71
▸ BTK Q06187 8/20 0.65
▸ KDR P35968 2/20 0.62
▸ TEK Q02763 2/20 0.62
▸ LCK P06239 1/20 0.62

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
SCHEMBL29098961 1.00 EGFR (0.71) EGFRBTKKDRTEKLCK
SCHEMBL29818017 0.92 KDR (0.61) EGFRBTKKDRTEKLCK
SCHEMBL29098950 0.92 KDR (0.61) EGFRBTKKDRTEKLCK
SCHEMBL29817964 0.90 EGFR (0.65) EGFRBTKKDRTEKLCK
SCHEMBL29098975 0.90 EGFR (0.65) EGFRBTKKDRTEKLCK
SCHEMBL29099018 0.88 EGFR (0.57) EGFRBTKKDRTEKLCK
SCHEMBL29817822 0.88 EGFR (0.57) EGFRBTKKDRTEKLCK
SCHEMBL29098988 0.84 EGFR (0.65) EGFRBTK
SCHEMBL18665600 0.83 EGFR (1.00) EGFRBTK
SCHEMBL29617737 0.83 EGFR (1.00) EGFRBTK

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-114573586-B Polycyclic compound for inhibiting Bruton tyrosine kinase activity, pharmaceutical composition and application thereof 杭州和正医药有限公司 2023-11-03 — — CN disclosed
CN-114573586-A Polycyclic compound for inhibiting Bruton's tyrosine kinase activity, pharmaceutical composition and application thereof 杭州和正医药有限公司 2022-06-03 — — CN disclosed
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