SCHEMBL30622978

SCHEMBL30622978

C[C@@H]1c2c(-c3ccncc3)c(-c3ccc(Cl)cc3F)nn2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.39
▸ CYP3A5 P20815 2/20 0.39
▸ USP30 Q70CQ3 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ MAP4K4 O95819 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ FRK P42685 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ MINK1 Q8N4C8 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RIPK3 Q9Y572 1/20 0.35
▸ APP P05067 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ GPR119 Q8TDV5 4/20 0.34
▸ DPP4 P27487 1/20 0.34

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
SCHEMBL26645397 0.88 BCHE (0.41) BCHEMAP4K4EGFRPRKACAFRK
SCHEMBL30622913 0.86 BCHE (0.36) CYP3A4CYP3A5USP30BCHEMAP4K4
SCHEMBL30622882 0.86 BCHE (0.36) CYP3A4CYP3A5USP30BCHEMAP4K4
SCHEMBL30622374 0.84 BCHE (0.39) BCHEMAP4K4EGFRPRKACAFRK
SCHEMBL26645237 0.84 BCHE (0.39) BCHEMAP4K4EGFRPRKACAFRK
SCHEMBL30622909 0.84 RIPK3 (0.37) CYP3A4CYP3A5USP30BCHEMAP4K4
SCHEMBL30622938 0.84 RIPK3 (0.37) CYP3A4CYP3A5USP30BCHEMAP4K4
SCHEMBL26645141 0.84 RIPK3 (0.37) CYP3A4CYP3A5USP30BCHEMAP4K4
SCHEMBL30622831 0.83 MAPK14 (0.43) EGFRCSNK1A1CSNK1DGPR119
SCHEMBL26645116 0.81 CYP3A4 (0.45) CYP3A4CYP3A5USP30BCHECSNK1D

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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