SCHEMBL7902852

SCHEMBL7902852

CC(=O)c1ccc(CC2=CN3C=C(C)NC3C(c3cccc(Cl)c3)=C2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM5 P41594 7/20 0.33
HIF1A Q16665 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SNCA P37840 1/20 0.32
CNR2 P34972 2/20 0.32
DYRK3 O43781 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
VEGFA P15692 1/20 0.32
FLT1 P17948 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
STK4 Q13043 1/20 0.31

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
SCHEMBL7912990 0.91 PARP1 (0.37) KMT2AGRM5HIF1AHDAC1HDAC6
SCHEMBL7914652 0.87 DYRK3 (0.37) RAB9AKMT2AGRM5HDAC1HDAC6
SCHEMBL7902988 0.86 GRIN1 (0.32) NPC1RAB9ASMN1; SMN2CNR2GRIN1
SCHEMBL7915334 0.86 DHFR (0.32) NPC1RAB9ASMN1; SMN2STK4STK3
SCHEMBL7902845 0.85 PIM1 (0.31) CNR2
SCHEMBL7913078 0.84 DYRK3 (0.37) DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL7916997 0.83 JAK2 (0.35) NPC1RAB9ASMN1; SMN2KMT2ADYRK3
SCHEMBL7929296 0.83 DYRK3 (0.49) SMN1; SMN2DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL7917981 0.83 DYRK3 (0.35) POLBRAB9AKMT2ADYRK3DYRK1A
SCHEMBL7913253 0.81 MAOB (0.34) SMN1; SMN2STK4STK3LRRK2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed