SCHEMBL4053970

SCHEMBL4053970

COc1ccc(C2(C#N)CCc3n[nH]cc3C2)c2c3cc(F)ccc3n(C)c12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MYLK Q15746 1/20 0.31

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
SCHEMBL4062215 0.89 KDR (0.34) KDM4EMYLK
SCHEMBL13693578 0.85 PIN1 (0.31) KDM4E
SCHEMBL4540659 0.85 KDM4E (0.32) KDM4E
SCHEMBL4061738 0.84 HTR2A (0.31) KDM4E
SCHEMBL4052813 0.84 KDM4E (0.31) KDM4E
SCHEMBL4233727 0.82 KDR (0.30) MYLK
SCHEMBL4058784 0.81 KDM4E (0.34) KDM4EMYLK
SCHEMBL13693820 0.81 PDE4A (0.41) KDM4EMYLK
SCHEMBL4059762 0.80 TNKS (0.36) KDM4EMYLK
SCHEMBL4051890 0.80 TNKS (0.35) KDM4EMYLK

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