SCHEMBL26645007

SCHEMBL26645007

CC(C)(C)OC(=O)N1CCn2nc(Br)c(-c3ccnc4[nH]ccc34)c2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 9/20 0.43
▸ JAK3 P52333 5/20 0.42
▸ JAK2 O60674 4/20 0.42
▸ TYK2 P29597 3/20 0.42
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ CIT O14578 1/20 0.36
▸ USP7 Q93009 2/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL30623067 1.00 JAK1 (0.43) JAK1JAK3JAK2TYK2CCNK
SCHEMBL30622798 0.85 CSNK1D (0.46) JAK1JAK3JAK2TYK2CSNK1D
SCHEMBL26645620 0.85 CSNK1D (0.46) JAK1JAK3JAK2TYK2CSNK1D
SCHEMBL30622774 0.85 CSNK1D (0.43) JAK1JAK3JAK2TYK2CSNK1D
SCHEMBL30622918 0.85 CDK9 (0.39) JAK1CCNKCDK12CSNK1DKIT
SCHEMBL30622788 0.85 JAK1 (0.43) JAK1JAK3JAK2TYK2KIT
SCHEMBL26645508 0.85 CDK9 (0.39) JAK1CCNKCDK12CSNK1DKIT
SCHEMBL30622787 0.85 BTK (0.40) JAK1JAK3CCNKCDK12KIT
SCHEMBL26645259 0.85 JAK1 (0.43) JAK1JAK3JAK2TYK2KIT
SCHEMBL26645177 0.85 BTK (0.40) JAK1JAK3CCNKCDK12KIT

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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