SCHEMBL26645129

SCHEMBL26645129

CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(Cl)cc3F)c(I)c2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.47
▸ CYP3A4 P08684 2/20 0.46
▸ CYP3A5 P20815 2/20 0.46
▸ CSNK1E P49674 6/20 0.45
▸ CSNK1D P48730 4/20 0.45
▸ USP30 Q70CQ3 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ STS P08842 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ ESR2 Q92731 1/20 0.38

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
SCHEMBL26645116 0.84 CYP3A4 (0.45) RORCCYP3A4CYP3A5CSNK1ECSNK1D
SCHEMBL26645364 0.83 CSNK1E (0.45) RORCCYP3A4CYP3A5CSNK1ECSNK1D
SCHEMBL16711450 0.81 CSNK1E (0.52) CSNK1ECSNK1DMEN1KMT2A
SCHEMBL16711190 0.79 CSNK1E (0.55) CSNK1ECSNK1D
SCHEMBL30623018 0.79 CSNK1E (0.44) CSNK1ECSNK1DSTS
SCHEMBL26645586 0.79 CSNK1E (0.44) CSNK1ECSNK1DSTS
SCHEMBL26645345 0.79 CYP3A4 (0.48) RORCCYP3A4CYP3A5USP30MKNK1
SCHEMBL26645590 0.79 CYP3A4 (0.41) RORCCYP3A4CYP3A5CSNK1ECSNK1D
SCHEMBL26645023 0.78 MERTK (0.43) CSNK1ECSNK1DMEN1KMT2A
SCHEMBL30622820 0.77 CYP3A4 (0.43) RORCCYP3A4CYP3A5CSNK1ECSNK1D

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
Send feedback