SCHEMBL22922489

SCHEMBL22922489

CN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
P4HB P07237 1/20 0.42
LIPG Q9Y5X9 8/20 0.42
LPL P06858 7/20 0.42
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA9 Q16790 6/20 0.42
F11 P03951 2/20 0.40
PDK2 Q15119 1/20 0.40
CYP11B2 P19099 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 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
SCHEMBL28506151 0.89 HDAC4 (0.43) HDAC4P4HBLIPGLPLCA1
SCHEMBL28513866 0.86 LIPG (0.40) HDAC4P4HBLIPGLPLCA1
SCHEMBL15464280 0.85 HDAC4 (0.46) HDAC4P4HBLIPGLPLCA1
SCHEMBL20243967 0.83 LPL (0.43) P4HBLIPGLPLCA1CA2
SCHEMBL22859207 0.83 CA1 (0.41) HDAC4P4HBLIPGLPLCA1
SCHEMBL22858943 0.83 HIF1A (0.36) HDAC4P4HBLIPGLPLCA1
SCHEMBL1290961 0.82 P4HB (0.48) P4HBLIPGLPLCA1CA2
SCHEMBL22858980 0.81 P4HB (0.43) P4HBLIPGLPLCA1CA2
SCHEMBL22858732 0.81 FFAR1 (0.43) P4HBLIPGLPLCA1CA2
SCHEMBL22858793 0.81 P4HB (0.43) P4HBLIPGLPLCA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022253311-A1 HPK1 INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-12-08 WO disclosed
WO-2022253311-A1 HPK1 INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-12-08 WO disclosed
CN-115433184-A HPK1 inhibitor and application thereof 武汉人福创新药物研发中心有限公司 2022-12-06 CN disclosed
WO-2021013083-A1 TRICYCLIC COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-28 WO disclosed