SCHEMBL9536802

SCHEMBL9536802

Oc1ccc(NC2CCNC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.42
PLK4 O00444 1/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
CHEK2 O96017 3/20 0.40
CHEK1 O14757 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
PDK2 Q15119 1/20 0.40
ITK Q08881 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
IDH2 P48735 1/20 0.38
PRKCQ Q04759 1/20 0.38
KCNH2 Q12809 1/20 0.37
EPHX1 P07099 1/20 0.37
RPS6KB1 P23443 1/20 0.36
HTR6 P50406 1/20 0.36

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
Hydrochloric Acid SCHEMBL8736411 0.98 AXL (0.41) AXLPLK4FPR3FPR2CHEK2
SCHEMBL2247061 0.89 PDK2 (0.47) PLK4PDK2EPHX1HTR6
SCHEMBL21460246 0.84 PDK2 (0.43) AXLPLK4CHEK2CHEK1PRKCZ
SCHEMBL21460364 0.82 PDK2 (0.42) AXLPLK4CHEK2CHEK1PRKCZ
SCHEMBL6216444 0.81 POLB (0.50) AXLPLK4CHEK2HTR6
SCHEMBL4131760 0.81 ITK (0.50) AXLPLK4CHEK2ITKKCNH2
SCHEMBL2305510 0.81 AXL (0.42) AXLPLK4FPR3FPR2CHEK1
SCHEMBL5392079 0.81 PLK4 (0.56) AXLPLK4FPR3FPR2PRKCZ
SCHEMBL28266386 0.81 AXL (0.42) AXLPLK4FPR3FPR2CHEK1
SCHEMBL4634218 0.81 HTR6 (0.46) AXLPLK4CHEK2CHEK1ITK

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
EP-0572259-A1 Aminoquinolone derivatives as anti-HIV agents UBE INDUSTRIES, LTD. (JP) 1993-12-01 EP disclosed