SCHEMBL29859622

SCHEMBL29859622

CC(C)Nc1cc(=O)[nH]c2ccsc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.53
AR P10275 2/20 0.39
PDE4B Q07343 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE7B Q9NP56 1/20 0.35
TSHR P16473 2/20 0.33
ELANE P08246 1/20 0.33
HTT P42858 1/20 0.33
DAO P14920 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.32

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
Hydrochloric Acid SCHEMBL29859578 0.98 PDPK1 (0.51) PDPK1ARPDE4BPDE7APDE7B
SCHEMBL29859838 0.75 PDPK1 (0.49) PDPK1ARTSHRHTTDAO
SCHEMBL31297662 0.74 PDPK1 (0.65) PDPK1TSHRHTTDAOLMNA
SCHEMBL29859617 0.70 PDPK1 (0.47) PDPK1PDE4BPDE7ATSHRLMNA
SCHEMBL22144475 0.69 PDPK1 (0.62) PDPK1TSHRHTTDAOLMNA
SCHEMBL7302300 0.69 PDPK1 (0.62) PDPK1TSHRHTTDAOSMN1; SMN2
SCHEMBL29859817 0.69 PDPK1 (0.46) PDPK1PDE4BPDE7ATSHRLMNA
SCHEMBL5462003 0.66 PDPK1 (0.57) PDPK1DAOHPGD
SCHEMBL801810 0.65 PDE4B (0.34) PDE4BPDE7APDE7BELANERAB9A
SCHEMBL988816 0.62 PDPK1 (0.50) PDPK1TSHRHTTDAOHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116888127-A Tri-fused ring HPK1 inhibitor and application thereof 轩竹生物科技股份有限公司 2023-10-13 CN disclosed
WO-2022188823-A1 TRICYCLIC HPK1 INHIBITOR AND USE THEREOF 山东轩竹医药科技有限公司 2022-09-15 WO disclosed