SCHEMBL24861920

SCHEMBL24861920

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 1.00
▸ BTK Q06187 7/20 1.00

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
SCHEMBL18665587 1.00 EGFR (1.00) EGFRBTK
SCHEMBL18666042 1.00 EGFR (1.00) EGFRBTK
SCHEMBL29886839 1.00 EGFR (1.00) EGFRBTK
SCHEMBL18665568 0.95 EGFR (1.00) EGFRBTK
SCHEMBL18665590 0.95 EGFR (1.00) EGFRBTK
SCHEMBL20584017 0.94 EGFR (0.97) EGFRBTK
SCHEMBL18665626 0.93 EGFR (1.00) EGFRBTK
SCHEMBL31188088 0.91 EGFR (0.84) EGFRBTK
SCHEMBL18665620 0.91 EGFR (0.84) EGFRBTK
SCHEMBL18665570 0.91 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
EP-4116303-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER Loxo Oncology, Inc. (US) 2023-01-11 — — EP disclosed
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