SCHEMBL26645345

SCHEMBL26645345

CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(Cl)cc3F)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.48
▸ CYP3A5 P20815 2/20 0.48
▸ GRM5 P41594 8/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ NR1H2 P55055 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ STS P08842 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL26645578 0.85 GRM5 (0.50) CYP3A4CYP3A5GRM5MEN1KMT2A
SCHEMBL26645758 0.82 GRM5 (0.43) CYP3A4CYP3A5GRM5KCNH2MEN1
SCHEMBL26645284 0.81 MKNK1 (0.55) CYP3A4CYP3A5MKNK1MEN1KMT2A
SCHEMBL16711314 0.81 GRM5 (0.50) GRM5KCNH2NR1H2
SCHEMBL26645565 0.80 MKNK1 (0.54) CYP3A4CYP3A5MKNK1MEN1KMT2A
SCHEMBL30623013 0.80 GRM5 (0.45) CYP3A4CYP3A5GRM5MKNK1MEN1
SCHEMBL18200209 0.79 GRM5 (0.47) CYP3A4CYP3A5GRM5POLB
SCHEMBL26645129 0.79 RORC (0.47) CYP3A4CYP3A5MKNK1MEN1KMT2A
SCHEMBL16711195 0.78 GRM5 (0.50) GRM5NR1H2
SCHEMBL26645545 0.78 GRM5 (0.45) GRM5MEN1KMT2ANR1H2

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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