SCHEMBL10186253

SCHEMBL10186253

Cc1ccc2c(c1)CCN2C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCOC4)n3c2cc1S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.42
PDE5A O76074 1/20 0.40
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
NOTUM Q6P988 1/20 0.34
BRD4 O60885 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
HTT P42858 1/20 0.33
PDE1A P54750 2/20 0.32
PDE1B Q01064 2/20 0.32
PDE1C Q14123 2/20 0.32

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
SCHEMBL7909213 0.93 PDE9A (0.43) PDE9APDE5APOLBALDH1A1SMN1; SMN2
SCHEMBL7896957 0.88 PDE9A (0.41) PDE9APDE5APOLBALDH1A1SMN1; SMN2
SCHEMBL12044672 0.86 PDE9A (0.46) PDE9APDE5ANOTUMCDK4CCND1
SCHEMBL1722606 0.86 PDE9A (0.42) PDE9APDE5AALDH1A1PDK1PDK2
SCHEMBL7905610 0.84 PDE9A (0.44) PDE9APDE5APOLBALDH1A1SMN1; SMN2
SCHEMBL15103370 0.82 PDE9A (0.46) PDE9APDE5APDE1APDE1BPDE1C
SCHEMBL15103337 0.82 PDE9A (0.44) PDE9APDE5APDE1APDE1BPDE1C
SCHEMBL12044752 0.81 PDE9A (0.43) PDE9APDE5ANOTUMCDK4CCND1
SCHEMBL7896964 0.81 PDE9A (0.40) PDE9APDE5ANOTUMBRD4PDE1A
SCHEMBL7900285 0.81 PDE9A (0.44) PDE9APDE5APOLBALDH1A1SMN1; SMN2

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-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP disclosed