SCHEMBL22917474

SCHEMBL22917474

CCc1nc(Cl)cc(OCCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.47
▸ STK17A Q9UEE5 1/20 0.47
▸ CA12 O43570 6/20 0.44
▸ CA1 P00915 6/20 0.44
▸ CA2 P00918 6/20 0.44
▸ CA9 Q16790 6/20 0.44
▸ IDO1 P14902 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ CYP1A1 P04798 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CYP3A43 Q9HB55 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BRD4 O60885 2/20 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
SCHEMBL29911427 1.00 STK17B (0.47) STK17BSTK17ACA12CA1CA2
SCHEMBL22917487 0.85 STK17B (0.49) STK17BSTK17ACA12CA1CA2
SCHEMBL22917677 0.76 CA12 (0.51) STK17BSTK17ACA12CA1CA2
SCHEMBL29616366 0.76 CA12 (0.51) STK17BSTK17ACA12CA1CA2
SCHEMBL24742223 0.74 CA12 (0.47) STK17BSTK17ACA12CA1CA2
SCHEMBL31436039 0.74 STK17B (0.57) STK17BSTK17ACA12CA1CA2
SCHEMBL38661180 0.73 CA12 (0.45) STK17BSTK17ACA12CA1CA2
SCHEMBL24742540 0.73 LTB4R (0.51) STK17BSTK17ACA12CA1CA2
SCHEMBL24741948 0.72 STK17B (0.47) STK17BSTK17ACA12CA1CA2
SCHEMBL23857385 0.72 STK17B (0.39) STK17BSTK17ACA12CA1CA2

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-2021016102-A1 INHIBITORS OF TYROSINE KINASE BRIDGENE BIOSCIENCES, INC. (US) 2021-01-28 — — WO disclosed
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