SCHEMBL9253063

SCHEMBL9253063

CC(C)NC(=O)c1ccc2c(ccn2-c2ccc(OC3CCNCC3)cn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
PLK1 P53350 2/20 0.44
PLK2 Q9NYY3 2/20 0.44
PLK3 Q9H4B4 1/20 0.44
DYRK1A Q13627 6/20 0.44
GSK3B P49841 5/20 0.44
WNT1 P04628 4/20 0.44
ALDH1A1 P00352 1/20 0.41
ACACB O00763 3/20 0.40
HRH3 Q9Y5N1 1/20 0.39
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
CHRNA7 P36544 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CSF1R P07333 1/20 0.38
FLT3 P36888 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
SCHEMBL9266551 0.89 PLK1 (0.45) KDM1APLK1PLK2PLK3DYRK1A
SCHEMBL9265566 0.88 HPGDS (0.45) KDM1APLK1PLK2PLK3DYRK1A
SCHEMBL9259070 0.88 DYRK1A (0.44) KDM1ADYRK1AGSK3BWNT1AXL
SCHEMBL9262615 0.86 KDM1A (0.42) KDM1APLK1PLK2PLK3DYRK1A
SCHEMBL15253175 0.85 GPR119 (0.53) PLK1PLK2PLK3ALDH1A1ACACB
SCHEMBL9261132 0.85 GSK3B (0.41) KDM1ADYRK1AGSK3BWNT1ALDH1A1
SCHEMBL15253089 0.85 GPR119 (0.47) PLK1PLK2PLK3ALDH1A1ACACB
SCHEMBL9250864 0.85 HRH3 (0.46) KDM1ADYRK1AGSK3BWNT1ALDH1A1
SCHEMBL9250469 0.84 KDM1A (0.41) KDM1ADYRK1AGSK3BWNT1ACACB
SCHEMBL8537789 0.84 CHEK2 (0.43) PLK1PLK2PLK3ACACBHRH3

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-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO disclosed