SCHEMBL4565304

SCHEMBL4565304

COc1nc(Nc2ccc3c(n2)OC(c2ccc(F)cn2)CN(C)C3C)ccc1-c1cnn(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.33
PDE10A Q9Y233 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
TTK P33981 5/20 0.33
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CHEK1 O14757 1/20 0.32
KCNH2 Q12809 1/20 0.32
PFKFB3 Q16875 1/20 0.31
SRC P12931 1/20 0.31
BTK Q06187 1/20 0.31
NTRK1 P04629 1/20 0.31
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR3 P22607 1/20 0.31
FLT3 P36888 1/20 0.31
APLNR P35414 1/20 0.30
USP30 Q70CQ3 1/20 0.30
AXL P30530 1/20 0.30

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
SCHEMBL3706735 1.00 HCRTR1 (0.33) HCRTR1PDE10AIRAK4TTKCCNA2
SCHEMBL3700322 0.82 PSEN1 (0.46) KCNH2
SCHEMBL3701407 0.81 CHEK1 (0.34) IRAK4TTKCCNA2CDK2CHEK1
SCHEMBL3703137 0.81 TTK (0.34) PDE10AIRAK4TTKCCNA2CDK2
SCHEMBL3699631 0.76 CHEK1 (0.34) HCRTR1PDE10AIRAK4TTKCCNA2
SCHEMBL3704450 0.73 TTK (0.35) IRAK4TTKCCNA2CDK2CHEK1
SCHEMBL4565292 0.73 P2RX7 (0.33)
SCHEMBL3701673 0.73 P2RX7 (0.33)
SCHEMBL3704373 0.71 IRAK4 (0.35) HCRTR1IRAK4TTKCCNA2CDK2
SCHEMBL3706768 0.69 PSEN1 (0.36) IRAK4TTKCCNA2CDK2CHEK1

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-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed