SCHEMBL29617737

SCHEMBL29617737

COc1ccccc1C(=O)NCc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 1.00
▸ BTK Q06187 10/20 0.78

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
SCHEMBL18665600 1.00 EGFR (1.00) EGFRBTK
SCHEMBL21316378 0.89 EGFR (0.79) EGFRBTK
SCHEMBL18665709 0.88 EGFR (1.00) EGFRBTK
SCHEMBL18665707 0.87 EGFR (1.00) EGFRBTK
SCHEMBL18665651 0.86 EGFR (1.00) EGFRBTK
SCHEMBL18665661 0.85 BTK (1.00) EGFRBTK
SCHEMBL18665570 0.83 EGFR (1.00) EGFRBTK
SCHEMBL18665605 0.83 EGFR (1.00) EGFRBTK
SCHEMBL29817882 0.83 EGFR (0.71) EGFRBTK
SCHEMBL29098961 0.83 EGFR (0.71) 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-114685516-A Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer 洛克索肿瘤学股份有限公司 2022-07-01 — — CN disclosed
CN-108431007-B Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer 洛克索肿瘤学股份有限公司 2022-06-07 — — CN disclosed
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