SCHEMBL26645098

SCHEMBL26645098

CC(C)(C)OC(=O)N1CCn2nc(-c3cc(Cl)ccc3F)c(-c3ccncc3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.43
▸ CYP3A5 P20815 2/20 0.43
▸ CSNK1E P49674 11/20 0.43
▸ CSNK1D P48730 9/20 0.43
▸ RORC P51449 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.38
▸ RIPK3 Q9Y572 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37

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
SCHEMBL30622820 1.00 CYP3A4 (0.43) CYP3A4CYP3A5CSNK1ECSNK1DRORC
SCHEMBL26645116 0.94 CYP3A4 (0.45) CYP3A4CYP3A5CSNK1ECSNK1DRORC
SCHEMBL26645207 0.89 CSNK1D (0.42) CYP3A4CYP3A5CSNK1ECSNK1DRORC
SCHEMBL26645531 0.89 CSNK1E (0.49) CSNK1ECSNK1DRORCGPR119
SCHEMBL26645019 0.88 CSNK1D (0.47) CYP3A4CYP3A5CSNK1ECSNK1DMEN1
SCHEMBL30623117 0.88 CSNK1E (0.41) CYP3A4CYP3A5CSNK1ECSNK1DRORC
SCHEMBL26645283 0.87 CSNK1D (0.40) CYP3A4CYP3A5CSNK1ECSNK1DRORC
SCHEMBL30623074 0.86 CSNK1E (0.41) CYP3A4CYP3A5CSNK1ECSNK1DRORC
SCHEMBL26645275 0.86 CSNK1E (0.43) CYP3A4CYP3A5CSNK1ECSNK1DRORC
SCHEMBL30622922 0.86 CSNK1E (0.43) CYP3A4CYP3A5CSNK1ECSNK1DMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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