SCHEMBL4565602

SCHEMBL4565602

COc1nc(Nc2ccc3c(n2)OC(c2nc(C)cs2)CN(C)C3)c(F)cc1-c1cnn(C)c1

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.30
PDGFRB P09619 1/20 0.30
KIT P10721 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR3 P22607 1/20 0.30
FLT3 P36888 1/20 0.30
TTK P33981 2/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 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
SCHEMBL3709069 1.00 NTRK1 (0.30) NTRK1PDGFRBKITFGFR1FGFR3
SCHEMBL3703452 0.89 CHEK1 (0.32) TTKCCNA2CDK2
SCHEMBL3705554 0.80 TTK (0.33) TTK
SCHEMBL3703694 0.77 CHEK1 (0.34) TTKCCNA2CDK2
SCHEMBL3708909 0.75 IRAK4 (0.33) TTKCCNA2CDK2
SCHEMBL3704373 0.74 IRAK4 (0.35) FLT3TTKCCNA2CDK2
SCHEMBL3702242 0.74 PSEN1 (0.39)
SCHEMBL3706768 0.74 PSEN1 (0.36) TTKCCNA2CDK2
SCHEMBL3706764 0.74 PSEN1 (0.36) TTKCCNA2CDK2
SCHEMBL3704450 0.73 TTK (0.35) FGFR1FGFR3FLT3TTKCCNA2

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