SCHEMBL3726142

SCHEMBL3726142

COc1ccc2ncc(=O)n(-c3ccc4c(c3)CCCC4CN(C(=O)O)C(C)(C)C)c2n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 11/20 0.38
KCNH2 Q12809 2/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 3/20 0.33
CLK4 Q9HAZ1 3/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
FLT3 P36888 2/20 0.33
TSHR P16473 1/20 0.33
EGFR P00533 1/20 0.32
BLK P51451 1/20 0.32
KDM6B O15054 1/20 0.32

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
SCHEMBL3025855 0.84 KDM4C (0.41) KDM4CKCNH2
SCHEMBL3008846 0.84 HTR6 (0.41) KCNH2ALDH1A1CYP1A2CLK4CYP2C19
Hydrochloric Acid SCHEMBL3016388 0.83 HTR6 (0.41) KCNH2ALDH1A1CYP1A2CLK4CYP2C19
SCHEMBL3725917 0.79 FLT3 (0.35) KCNH2ALDH1A1CYP1A2CLK4CYP2C19
SCHEMBL3016117 0.74 KCNH2 (0.52) KCNH2
Hydrochloric Acid SCHEMBL3022236 0.74 KCNH2 (0.51) KCNH2
SCHEMBL3029093 0.73 KCNH2 (0.42) KDM4CKCNH2
Hydrochloric Acid SCHEMBL3027523 0.72 KCNH2 (0.42) KDM4CKCNH2
SCHEMBL3025404 0.72 KDM4C (0.40) KDM4CKDM6B
SCHEMBL3025294 0.71 KCNH2 (0.46) KCNH2

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
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed