SCHEMBL4060397

SCHEMBL4060397

COc1ccc(C2(C#N)CCC3=NNC(=O)C3C2)c2c1oc1ccc(C(F)(F)F)cc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PDE4B Q07343 2/20 0.32
PDE3A Q14432 2/20 0.32
PIM1 P11309 5/20 0.31
HRH4 Q9H3N8 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
SCHEMBL4008859 0.86 MAOA (0.35) PDE4B
SCHEMBL4239976 0.83 PDE4A (0.39) DDB1CRBNPDE4BPIM1HRH4
SCHEMBL4053847 0.80 CCR2 (0.33) DDB1CRBNPDE4BPIM1
SCHEMBL4062007 0.75 HRH4 (0.31) HRH4
SCHEMBL4060696 0.75 HRH4 (0.37) HRH4
SCHEMBL4063486 0.73 MYLK (0.33) PDE4B
SCHEMBL4059651 0.72 KDR (0.35) PDE4BPIM1
SCHEMBL12316272 0.72 MAOA (0.35) PDE4B
SCHEMBL4235894 0.72 HRH4 (0.35) HRH4
SCHEMBL4541501 0.69 PIM1 (0.31) PIM1

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
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 WO disclosed
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 WO disclosed