SCHEMBL5804166

SCHEMBL5804166

O=C1CNc2nc(-c3ccccc3)ncc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
HTR2C P28335 1/20 0.40
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39

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
SCHEMBL24787166 0.79 HTR2C (0.47) HTR2CCHEK1AURKADAPK3PRKD3
SCHEMBL1750073 0.76 NPC1 (0.42) HTR2CALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14118036 0.73 XIAP (0.40) CYP11B1CYP11B2XIAPBIRC2
SCHEMBL17318021 0.73 KDR (0.59) CYP11B1CYP11B2HTR2CCHEK1AURKA
SCHEMBL27978057 0.70 XIAP (0.38) CYP11B1CYP11B2XIAPBIRC2
SCHEMBL6615342 0.69 ADK (0.42) HTR2CCSNK1A1GSK3BALDH1A1NPC1
SCHEMBL11281012 0.69 SMN1; SMN2 (0.50) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL11884599 0.68 MAOA (0.41) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL26671809 0.68 XIAP (0.44) CYP11B1CYP11B2METXIAPBIRC2
SCHEMBL3835689 0.67 CYP1A2 (0.47) CYP11B1CYP11B2KDRGSK3AGSK3B

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-2006091737-A1 MODULATORS OF GSK-3 ACTIVITY KEMIA, INC. (US) 2006-08-31 WO disclosed