SCHEMBL22902676

SCHEMBL22902676

COc1ccccc1C(=O)NCc1ccc(-c2nn([C@H]3C[C@@H](N)C3)c3ncnc(N)c23)cc1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.88
▸ BTK Q06187 8/20 0.82

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
SCHEMBL18665658 0.94 EGFR (1.00) EGFRBTK
SCHEMBL18665570 0.91 EGFR (1.00) EGFRBTK
SCHEMBL18665605 0.91 EGFR (1.00) EGFRBTK
SCHEMBL18665626 0.91 EGFR (1.00) EGFRBTK
SCHEMBL21316391 0.91 EGFR (0.98) EGFRBTK
SCHEMBL24861920 0.90 EGFR (1.00) EGFRBTK
SCHEMBL18666042 0.90 EGFR (1.00) EGFRBTK
SCHEMBL29886839 0.90 EGFR (1.00) EGFRBTK
SCHEMBL18665587 0.90 EGFR (1.00) EGFRBTK
SCHEMBL18665590 0.90 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021011428-A1 HETEROCYCLIC KINASE INHIBITORS GB005, INC. (US) 2021-01-21 — — WO disclosed
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