SCHEMBL31069587

SCHEMBL31069587

COc1ccc2c(c1)C(=O)NC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.53
PDE3A Q14432 2/20 0.53
RYR2 Q92736 1/20 0.53
NTRK2 Q16620 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
DYRK1B Q9Y463 2/20 0.51
TYRO3 Q06418 1/20 0.51
KDR P35968 3/20 0.50
METAP1 P53582 3/20 0.50
ACHE P22303 1/20 0.50
JAK2 O60674 1/20 0.50
NTRK1 P04629 1/20 0.50
MET P08581 1/20 0.50
FGFR1 P11362 1/20 0.50
PRKACA P17612 1/20 0.50
MAP2K2 P36507 1/20 0.50
FLT3 P36888 1/20 0.50
GSK3B P49841 1/20 0.50
MAP2K1 Q02750 1/20 0.50
MST1R Q04912 1/20 0.50

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
SCHEMBL2849831 1.00 PDE3B (0.53) PDE3BPDE3ARYR2NTRK2CLK4
SCHEMBL10113037 0.88 CLK4 (0.47) PDE3BPDE3ARYR2NTRK2CLK4
SCHEMBL2023021 0.86 PDE3B (0.57) PDE3BPDE3ARYR2CLK4KDR
SCHEMBL26785931 0.85 PDE3B (0.53) PDE3BPDE3ARYR2CLK4KDR
SCHEMBL30629139 0.85 PDE3B (0.53) PDE3BPDE3ARYR2CLK4KDR
SCHEMBL246378 0.83 PARP10 (0.63) RYR2METAP1ACHEALDH1A1MAPKAPK2
SCHEMBL29438649 0.83 PARP10 (0.63) RYR2METAP1ACHEALDH1A1MAPKAPK2
SCHEMBL7944009 0.82 METAP1 (0.50) PDE3BPDE3ARYR2METAP1ACHE
SCHEMBL15553470 0.82 NTRK2 (0.51) NTRK2CLK4DYRK1BTYRO3KDR
SCHEMBL20992951 0.81 CLK4 (0.47) NTRK2CLK4DYRK1BTYRO3KDR

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-119490507-A Novel kinase inhibitor 首药控股(北京)股份有限公司 2025-02-21 CN disclosed
CN-118580225-A PRMT5-MTA synergistic inhibitor and application thereof 甘李药业股份有限公司 2024-09-03 CN disclosed