SCHEMBL5820283

SCHEMBL5820283

Cc1cccc(Nc2ccc3c(C(=O)NC(C)C)nn(C(C)(C)C)c3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
KDM4E B2RXH2 5/20 0.38
TBXA2R P21731 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
MAPK8 P45983 1/20 0.38
MAPK1 P28482 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38

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
SCHEMBL5818277 0.88 KDM4E (0.38) KDM4ECYP3A4CYP2C9TDP1RET
SCHEMBL4399145 0.85 GRM5 (0.47) ELANEPOLBGRM5RAB9AMEN1
SCHEMBL3961436 0.79 RAB9A (0.42) KDM4EMAPTRETPOLBRAB9A
SCHEMBL4396431 0.75 KDM4E (0.43) KDM4ERETKDRDYRK1AGRM5
SCHEMBL4396419 0.74 PRKAB2 (0.42) KDM4EMAPTCSF1RRETCDK2
SCHEMBL4399147 0.70 GRM5 (0.46) MAPTMAPK1RETKDRPOLB
SCHEMBL5818038 0.70 GRM5 (0.39) KDM4ECYP3A4CYP2C9MAPTTDP1
SCHEMBL4792976 0.70 KMT2A (0.47) KDM4EMAPTTDP1MAPK1L3MBTL1
SCHEMBL4394525 0.69 RAB9A (0.40) MAPTPOLBGRM5GRM1L3MBTL1
SCHEMBL5822526 0.69 TP53 (0.49) KDM4EMAPTPOLBNPSR1RAB9A

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
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed