SCHEMBL30622973

SCHEMBL30622973

CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(Cl)cc3)c(Br)c2C1.CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(Cl)cc3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CSNK1E P49674 1/20 0.37
▸ STS P08842 2/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP3A5 P20815 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CACNB4 O00305 1/20 0.36
▸ CACNA1A O00555 1/20 0.36
▸ CACNA1G O43497 1/20 0.36
▸ CACNG3 O60359 1/20 0.36
▸ CACNA1F O60840 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNB3 P54284 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.36
▸ CACNG7 P62955 1/20 0.36

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
SCHEMBL30622765 0.91 CSNK1E (0.44) GRM5CSNK1E
SCHEMBL26645726 0.91 MEN1 (0.46) MEN1KMT2ACSNK1ESTSCNR1
SCHEMBL26645578 0.89 GRM5 (0.50) GRM5MEN1KMT2ASTSCNR1
SCHEMBL30622773 0.88 MEN1 (0.37) GRM5MEN1KMT2ACSNK1ECNR1
SCHEMBL30623013 0.87 GRM5 (0.45) GRM5MEN1KMT2ASTSCNR1
SCHEMBL30623123 0.83 GRM5 (0.43) GRM5CSNK1ENR1H2
SCHEMBL30623035 0.82 CSNK1D (0.43) MEN1KMT2ACSNK1ESTSCNR1
SCHEMBL17382842 0.81 CSNK1E (0.52) CSNK1E
SCHEMBL26645256 0.81 MEN1 (0.40) MEN1KMT2ACSNK1ECNR1CNR2
SCHEMBL17129177 0.80 CSNK1D (0.51) CSNK1ENR1H2POLB

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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