SCHEMBL2015203

SCHEMBL2015203

OCCc1cc(Cl)c2cccnc2c1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.46
KDM4E B2RXH2 8/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
LMNA P02545 5/20 0.43
HTT P42858 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TDP1 Q9NUW8 5/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MPI P34949 1/20 0.43
MMP14 P50281 3/20 0.43
HSP90AA1 P07900 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
ALOX12 P18054 2/20 0.43

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
SCHEMBL2015741 0.89 L3MBTL1 (0.44) CDK1KDM4EL3MBTL1CCR1CCR8
SCHEMBL2017973 0.82 L3MBTL1 (0.43) CDK1KDM4EL3MBTL1CCR1CCR8
SCHEMBL2010932 0.77 KDM4E (0.43) KDM4EL3MBTL1CCR1CCR8LMNA
SCHEMBL2017970 0.76 KDM4E (0.44) KDM4EL3MBTL1CCR1CCR8LMNA
SCHEMBL2015201 0.76 L3MBTL1 (0.46) KDM4EL3MBTL1CCR1CCR8LMNA
SCHEMBL2011286 0.75 PIK3CD (0.40) KDM4EL3MBTL1CCR1CCR8LMNA
SCHEMBL8345105 0.74 KDM4E (0.60) CDK1KDM4EL3MBTL1CCR1CCR8
SCHEMBL2015740 0.73 L3MBTL1 (0.43) KDM4EL3MBTL1CCR1CCR8LMNA
SCHEMBL2320450 0.71 KDM4E (0.57) CDK1KDM4EL3MBTL1CCR1CCR8
SCHEMBL2015779 0.70 PIK3CD (0.44) CDK1KDM4EL3MBTL1CCR1CCR8

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed