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SCHEMBL26645014

SCHEMBL26645014

CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(Cl)c(Cl)c3)c(-c3ccncc3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 11/20 0.43
▸ CSNK1D P48730 9/20 0.43
▸ GPR119 Q8TDV5 2/20 0.40
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ USP30 Q70CQ3 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
SCHEMBL30622825 1.00 CSNK1E (0.43) CSNK1ECSNK1DGPR119POLBMEN1
SCHEMBL26645805 0.93 CSNK1E (0.42) CSNK1ECSNK1DGPR119POLBMEN1
SCHEMBL26645275 0.92 CSNK1E (0.43) CSNK1ECSNK1DGPR119
SCHEMBL26645587 0.91 CFTR (0.42) CSNK1ECSNK1DGPR119
SCHEMBL30622740 0.91 CFTR (0.42) CSNK1ECSNK1DGPR119
SCHEMBL26645653 0.91 CSNK1E (0.41) CSNK1ECSNK1DGPR119POLBMEN1
SCHEMBL30622922 0.90 CSNK1E (0.43) CSNK1ECSNK1DPOLBMEN1KMT2A
SCHEMBL26645443 0.90 CSNK1E (0.43) CSNK1ECSNK1DPOLBMEN1KMT2A
SCHEMBL26645019 0.89 CSNK1D (0.47) CSNK1ECSNK1DGPR119POLBMEN1
SCHEMBL26645250 0.86 CSNK1D (0.48) CSNK1ECSNK1DGPR119USP30

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