SCHEMBL30504113

SCHEMBL30504113

CCOC(=O)c1cnc(Cl)nc1NCC(C)(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.51
▸ STK17A Q9UEE5 1/20 0.51
▸ SYK P43405 3/20 0.48
▸ LATS1 O95835 1/20 0.44
▸ ADORA3 P0DMS8 2/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ADORA1 P30542 1/20 0.39
▸ NFKB1 P19838 5/20 0.38
▸ FOS P01100 4/20 0.38
▸ JUN P05412 4/20 0.38
▸ NFKB2 Q00653 4/20 0.38
▸ RELA Q04206 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ATF1 P18846 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ SIRT5 Q9NXA8 2/20 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
SCHEMBL22401330 1.00 STK17B (0.51) STK17BSTK17ASYKLATS1ADORA3
SCHEMBL34462297 0.84 MAPT (0.54) STK17BSTK17ASYKADORA3ADORA2A
SCHEMBL22401276 0.80 STK17B (0.50) STK17BSTK17ASYKADORA3ADORA2A
SCHEMBL30504125 0.80 STK17B (0.50) STK17BSTK17ASYKADORA3ADORA2A
SCHEMBL2523948 0.78 SYK (0.53) SYKALDH1A1NFKB1FOSJUN
SCHEMBL12942870 0.77 SYK (0.64) STK17BSTK17ASYKALDH1A1MAPT
SCHEMBL22866255 0.76 ALDH1A1 (0.55) SYKALDH1A1NFKB1FOSJUN
SCHEMBL16202703 0.76 MERTK (0.49) STK17BSTK17ASYKALDH1A1KDM4E
SCHEMBL25227768 0.75 SYK (0.57) STK17BSTK17ASYKALDH1A1NFKB1
SCHEMBL30413601 0.75 SYK (0.57) STK17BSTK17ASYKALDH1A1NFKB1

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
CN-111527084-B Isofuranone compounds useful as HPK1 inhibitors 百时美施贵宝公司 2023-07-18 — — CN disclosed
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