SCHEMBL29818017

SCHEMBL29818017

CCOc1ccccc1C(=O)NCc1ccc(-c2cn(C(C)C)c3ncnc(N)c23)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.61
▸ TEK Q02763 7/20 0.61
▸ LCK P06239 5/20 0.61
▸ EGFR P00533 12/20 0.60
▸ BTK Q06187 6/20 0.56
▸ SRC P12931 1/20 0.53

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
SCHEMBL29098950 1.00 KDR (0.61) KDRTEKLCKEGFRBTK
SCHEMBL29098961 0.92 EGFR (0.71) KDRTEKLCKEGFRBTK
SCHEMBL29817882 0.92 EGFR (0.71) KDRTEKLCKEGFRBTK
SCHEMBL29099018 0.87 EGFR (0.57) KDRTEKLCKEGFRBTK
SCHEMBL29817822 0.87 EGFR (0.57) KDRTEKLCKEGFRBTK
SCHEMBL29817964 0.83 EGFR (0.65) KDRTEKLCKEGFRBTK
SCHEMBL29098975 0.83 EGFR (0.65) KDRTEKLCKEGFRBTK
SCHEMBL2072241 0.77 TEK (0.81) KDRTEKLCKEGFRSRC
SCHEMBL29098988 0.77 EGFR (0.65) EGFRBTK
SCHEMBL2074526 0.76 TEK (0.86) KDRTEKLCKEGFRSRC

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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