SCHEMBL1379083

SCHEMBL1379083

CN1CCN(CCCNC(=O)Nc2n[nH]c3c(F)c(F)c(-c4ccccc4)cc23)CC1.Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 10/20 0.44
DRD4 P21917 10/20 0.44
DRD3 P35462 10/20 0.44
FGFR1 P11362 2/20 0.42
KDR P35968 2/20 0.42
HTR1A P08908 3/20 0.41
ADRA2A P08913 3/20 0.41
DRD1 P21728 3/20 0.41
DRD5 P21918 3/20 0.41
HTR2A P28223 3/20 0.41
ADRA1A P35348 3/20 0.41
LMNA P02545 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL2337608 0.96 GSK3B (0.49) GSK3BCDK1CDK2KDM4EHSD17B10
SCHEMBL4497527 0.79 KDM4E (0.50) GSK3BCDK1CDK2KDM4EHSD17B10
SCHEMBL1461200 0.79 GSK3B (0.61) GSK3BCDK1CDK2KDM4EHSD17B10
SCHEMBL1379081 0.74 DRD2 (0.35) GSK3BCDK1CDK2KDM4EHSD17B10
SCHEMBL4392816 0.73 GSK3B (0.61) GSK3BCDK1CDK2KMT2AFGFR1
SCHEMBL4381668 0.73 GSK3B (0.60) GSK3BCDK1CDK2DRD1
SCHEMBL4500932 0.72 GSK3B (0.62) GSK3BCDK1CDK2KDM4EHSD17B10
SCHEMBL4392791 0.72 GSK3B (0.76) GSK3BCDK1CDK2KMT2A
SCHEMBL2333341 0.72 GSK3B (0.53) GSK3BCDK1CDK2
SCHEMBL1461697 0.71 GSK3B (0.82) GSK3BCDK1CDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4764168-B2 2011-08-31 JP claimed
EP-1572200-A1 AMINOINDAZOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-09-14 EP claimed
WO-2004062662-A1 AMINOINDAZOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-07-29 WO claimed