SCHEMBL20006099

SCHEMBL20006099

O=CN(c1ccnc2ccc(Br)cc12)C1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.37
SLC22A12 Q96S37 8/20 0.37
NCF1 P14598 1/20 0.36
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
AHR P35869 1/20 0.34
FLT3 P36888 2/20 0.33
CHEK1 O14757 1/20 0.33
PIM1 P11309 1/20 0.33
AKT1 P31749 1/20 0.33
PIM3 Q86V86 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
RXFP1 Q9HBX9 1/20 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
SCHEMBL20006105 0.72 MALT1 (0.35) IRAK4HTTMEN1POLBKMT2A
SCHEMBL1543907 0.68 SLC22A12 (0.49) IRAK4SLC22A12NCF1HTTMEN1
SCHEMBL2621813 0.68 IRAK4 (0.46) IRAK4SLC22A12NCF1GAKEPHB6
SCHEMBL9034955 0.66 SLC22A12 (0.50) SLC22A12NCF1HTTMAPK1FLT3
SCHEMBL28823329 0.66 SLC22A12 (0.53) SLC22A12NCF1HTTMAPTFLT3
SCHEMBL5499754 0.66 HTT (0.60) SLC22A12NCF1HTTFLT3CHEK1
SCHEMBL18843813 0.65 RXFP1 (0.38) IRAK4HTTMEN1POLBKMT2A
SCHEMBL1543989 0.64 NCF1 (0.70) IRAK4NCF1HTTMAPTMAPK1
SCHEMBL20392661 0.64 NCF1 (0.47) IRAK4SLC22A12NCF1FLT3CHEK1
SCHEMBL2621810 0.63 IRAK4 (0.54) IRAK4

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-3140303-B1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-03-28 EP disclosed