SCHEMBL2017973

SCHEMBL2017973

O=CCc1cc(Cl)c2cccnc2c1-c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CDK1 P06493 1/20 0.40
SLC40A1 Q9NP59 3/20 0.40
MMP9 P14780 4/20 0.40
MMP2 P08253 3/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSP90AA1 P07900 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39

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 0.83 L3MBTL1 (0.44) L3MBTL1CCR1CCR8KDM4ELMNA
SCHEMBL2015203 0.82 CDK1 (0.46) L3MBTL1CCR1CCR8KDM4ELMNA
SCHEMBL2015005 0.80 PIK3CD (0.44) L3MBTL1CCR1CCR8KDM4ELMNA
SCHEMBL2014257 0.78 KDM4E (0.42) L3MBTL1CCR1CCR8KDM4ELMNA
SCHEMBL2014459 0.76 CDK1 (0.62) L3MBTL1KDM4ELMNATDP1HTT
SCHEMBL2017970 0.75 KDM4E (0.44) L3MBTL1CCR1CCR8KDM4ELMNA
SCHEMBL1811084 0.72 HIF1A (0.49) L3MBTL1CCR1CCR8KDM4ELMNA
SCHEMBL2015201 0.72 L3MBTL1 (0.46) L3MBTL1CCR1CCR8KDM4ELMNA
SCHEMBL2015740 0.72 L3MBTL1 (0.43) L3MBTL1CCR1CCR8KDM4ELMNA
SCHEMBL3904765 0.71 DPP4 (0.42) KDM4ELMNATDP1NPC1MEN1

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