SCHEMBL26645271

SCHEMBL26645271

COc1cccc(-c2nn3c(c2Br)CN(C(=O)OC(C)(C)C)CC3)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 12/20 0.46
▸ CSNK1D P48730 9/20 0.46
▸ ABL1 P00519 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ ABL2 P42684 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ RIPK2 O43353 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MGAT2 Q10469 1/20 0.40
▸ DGAT2 Q96PD7 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL30623123 0.92 GRM5 (0.43) CSNK1ECSNK1DABL1EGFRSRC
SCHEMBL26645904 0.87 CSNK1E (0.55) CSNK1ECSNK1D
SCHEMBL30622835 0.86 CSNK1E (0.44) CSNK1ECSNK1DABL1EGFRSRC
SCHEMBL26645379 0.86 CSNK1E (0.44) CSNK1ECSNK1DABL1EGFRSRC
SCHEMBL17129177 0.81 CSNK1D (0.51) CSNK1ECSNK1DUSP30
SCHEMBL26645726 0.81 MEN1 (0.46) CSNK1ECSNK1DMEN1KMT2A
SCHEMBL17382842 0.81 CSNK1E (0.52) CSNK1ECSNK1D
SCHEMBL26645256 0.80 MEN1 (0.40) CSNK1ECSNK1DMEN1KMT2A
SCHEMBL24277111 0.79 CSNK1E (0.41) CSNK1ECSNK1D
SCHEMBL26645772 0.79 GRM5 (0.51) ABL1EGFRSRCABL2USP30

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
EP-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 — — EP disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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