SCHEMBL9703379

SCHEMBL9703379

COc1scc(C)c1-c1nc2cc3c(cc2[nH]1)CC(C)(C)C(=O)N3

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
AURKA O14965 2/20 0.36
AURKB Q96GD4 1/20 0.36
AMY1A P0DUB6 4/20 0.32
KDR P35968 2/20 0.30
PDGFRB P09619 1/20 0.30
FGFR1 P11362 1/20 0.30
METAP1 P53582 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
SCHEMBL10477969 0.81 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10557598 0.76 AMY1A (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9703397 0.76 NPC1 (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10697003 0.75 AMY1A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9703307 0.75 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9703536 0.75 TP53 (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9703459 0.74 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9378683 0.74 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9703633 0.71 PDGFRB (0.36) PDE3BPDE3AAMY1AKDRPDGFRB
SCHEMBL9703372 0.71 AMY1A (0.38) 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 1 patent. 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