SCHEMBL30504125

SCHEMBL30504125

CCOC(=O)c1cnc(Cl)nc1NCCC(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.50
▸ STK17A Q9UEE5 1/20 0.50
▸ SYK P43405 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ SIRT5 Q9NXA8 4/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PPP1CA P62136 1/20 0.38
▸ KMT2A Q03164 1/20 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
SCHEMBL22401276 1.00 STK17B (0.50) STK17BSTK17ASYKALDH1A1KDM4E
SCHEMBL29076116 0.83 ALDH1A1 (0.49) STK17BSTK17ASYKALDH1A1KDM4E
SCHEMBL30504113 0.80 STK17B (0.51) STK17BSTK17ASYKALDH1A1KDM4E
SCHEMBL22401330 0.80 STK17B (0.51) STK17BSTK17ASYKALDH1A1KDM4E
SCHEMBL22866255 0.80 ALDH1A1 (0.55) SYKALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL34462297 0.79 MAPT (0.54) STK17BSTK17ASYKALDH1A1KDM4E
SCHEMBL2523948 0.77 SYK (0.53) SYKALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL11582962 0.77 ALDH1A1 (0.52) SYKALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL12942870 0.76 SYK (0.64) STK17BSTK17ASYKALDH1A1MEN1
SCHEMBL28684686 0.76 ALDH1A1 (0.51) SYKALDH1A1KDM4ECYP1A2CYP3A4

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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