SCHEMBL28848946

SCHEMBL28848946

Cc1c[nH]c(C)c1-c1ccnn1C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR3C2 P08235 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
BRD4 O60885 1/20 0.34
HPGD P15428 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
SCHEMBL30088695 0.79 PIK3CD (0.44) PIK3CDPKMMEN1ALDH1A1MAPT
SCHEMBL17675348 0.77 MKNK1 (0.40) PIK3CDPKMMEN1ALDH1A1MAPT
SCHEMBL30088763 0.74 BRD4 (0.40) PIK3CDPKMMEN1ALDH1A1MAPT
SCHEMBL30088715 0.72 BRD4 (0.44) PIK3CDBRD4
SCHEMBL23923690 0.71 NR3C2 (0.43) PIK3CDPKMNR3C2CYP4F2CYP4A11
SCHEMBL30088774 0.71 ABCB1 (0.45) PIK3CDBRD4
SCHEMBL30088753 0.71 ABCB1 (0.45) PIK3CDBRD4
SCHEMBL18250762 0.69 SMN1; SMN2 (0.44) PIK3CDPKMMEN1ALDH1A1MAPT
SCHEMBL30088752 0.69 NR3C2 (0.42) PIK3CDPKMMEN1ALDH1A1MAPT
SCHEMBL15108606 0.68 PIK3CD (0.46) PIK3CDNR3C2GAASMN1; SMN2

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
CN-107108565-A The N pyridine yl acetamide derivatives of the inhibitor of approach are transmitted as WNT signals 莱德克斯制药公共有限公司 2017-08-29 CN disclosed