SCHEMBL4006732

SCHEMBL4006732

O=C(O)N1CC=C(c2cccnc2Oc2cccc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.49
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CDK9 P50750 4/20 0.41
CCNT1 O60563 3/20 0.41
CHEK1 O14757 3/20 0.41
MAP4K4 O95819 3/20 0.41
PIM1 P11309 3/20 0.41
PRKACA P17612 3/20 0.41
CLK2 P49760 3/20 0.41
GSK3B P49841 3/20 0.41
CDK5 Q00535 3/20 0.41
PRKAA1 Q13131 3/20 0.41
ROCK1 Q13464 3/20 0.41
DYRK1A Q13627 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
MAPK1 P28482 3/20 0.41
CHEK2 O96017 2/20 0.41
PRKCG P05129 2/20 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
SCHEMBL13769848 0.88 PDE10A (0.60) PDE10APDK4
SCHEMBL4015332 0.86 PDE10A (0.51) PDE10AALDH1A1SMN1; SMN2CDK9CCNT1
SCHEMBL4010834 0.84 PDE10A (0.47) PDE10AALDH1A1SMN1; SMN2CDK9CCNT1
SCHEMBL4014684 0.84 PDE10A (0.56) PDE10AALDH1A1SMN1; SMN2
SCHEMBL4017987 0.84 PDE10A (0.45) PDE10AALDH1A1SMN1; SMN2MAPK1TSHR
SCHEMBL4010869 0.83 PDE10A (0.46) PDE10AALDH1A1SMN1; SMN2MAPT
SCHEMBL16992066 0.81 PDE10A (0.46) PDE10AALDH1A1SMN1; SMN2CDK9CCNT1
SCHEMBL4011858 0.81 PDE10A (0.44) PDE10ACDK9CCNT1
SCHEMBL4009606 0.81 MAPT (0.45) PDE10ACDK9CCNT1MAPT
SCHEMBL4007141 0.81 PDE10A (0.42) PDE10ACDK9CCNT1CHEK1MAP4K4

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-2009081259-A1 PHENOXY-PYRIDYL DERIVATIVES PFIZER INC. (US) 2009-07-02 WO disclosed