SCHEMBL9703439

SCHEMBL9703439

Cc1csc(-c2nc3cc4c(cc3[nH]2)C(C)(C)CC(=O)N4)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
AURKA O14965 2/20 0.42
AURKB Q96GD4 2/20 0.42
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
METAP1 P53582 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL9380784 0.82 KDM4E (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9378391 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9378993 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9702847 0.79 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9379359 0.78 PDE3B (0.69) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10556856 0.78 AR (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9379360 0.78 AURKA (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9378934 0.78 AURKA (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9382195 0.78 METAP1 (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4952077 0.77 AURKA (0.69) PDE4APDE4BPDE4CPDE4DPDE3B

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
US-5116843-A Anticoagulants, hypotensive agents and cardiovascular disorder BOEHRINGER MANNHEIM GMBH (DE) 1992-05-26 US disclosed
US-4954498-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1990-09-04 US disclosed