SCHEMBL4054949

SCHEMBL4054949

COc1ccc(C2(C#N)CCc3nc(N)[nH]c(=O)c3C2)c2c3ccccc3n(C)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.37
TNKS2 Q9H2K2 4/20 0.37
KDR P35968 2/20 0.34
MYLK Q15746 5/20 0.34
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
JAK2 O60674 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
PAK4 O96013 1/20 0.33
CHEK2 O96017 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
INSR P06213 1/20 0.33
LCK P06239 1/20 0.33
CDK1 P06493 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL4051890 0.90 TNKS (0.35) TNKSTNKS2MYLKKDM4EALDH1A1
SCHEMBL4052505 0.85 MYLK (0.36) MYLK
SCHEMBL4525068 0.82 TNKS (0.35) TNKSTNKS2KDM4EALDH1A1HPGD
SCHEMBL4059762 0.81 TNKS (0.36) TNKSTNKS2MYLKKDM4EALDH1A1
SCHEMBL4054950 0.80 KDM4E (0.32) KDRMYLKKDM4EALDH1A1GLA
SCHEMBL4062215 0.79 KDR (0.34) KDRMYLKPLK4AURKAPDPK1
SCHEMBL13693694 0.79 PDE4A (0.41) KDRMYLKKDM4EALDH1A1GLA
SCHEMBL4051543 0.76 KDR (0.32) KDRMYLKSMN1; SMN2KDM4EHPGD
SCHEMBL4060742 0.76 HSD17B10 (0.32) KDRMYLKKDM4EALDH1A1GLA
SCHEMBL4051888 0.76 MYLK (0.34) TNKSTNKS2MYLKTYMS

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