SCHEMBL4007261

SCHEMBL4007261

COc1ccc(Oc2ncccc2C2=CCN(C(=O)O)CC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.46
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
RET P07949 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
MARK3 P27448 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
FLT4 P35916 1/20 0.42

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
SCHEMBL4009241 0.89 PDE10A (0.44) PDE10ACCNT1CDK9
SCHEMBL4009606 0.89 MAPT (0.45) PDE10ACCNT1CDK9
SCHEMBL4013658 0.86 CCNT1 (0.47) CCNT1CDK9
SCHEMBL4011858 0.83 PDE10A (0.44) PDE10ACCNT1CDK9
SCHEMBL4015332 0.83 PDE10A (0.51) PDE10ACCNT1CDK9
SCHEMBL4009648 0.83 CCNT1 (0.46) PDE10ACCNT1CDK9
SCHEMBL16992066 0.82 PDE10A (0.46) PDE10APLK4CHEK1AURKAPRKD3
SCHEMBL4013497 0.81 CCNT1 (0.44) PDE10ACCNT1CDK9
SCHEMBL4014684 0.81 PDE10A (0.56) PDE10A
SCHEMBL22324799 0.80 CPS1 (0.48) CCNT1CDK9

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