SCHEMBL7929296

SCHEMBL7929296

CCOC(=O)Nc1ccc(CC2=CN3C=C(C)NC3C(c3cccc(Cl)c3)=C2)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.49
DYRK1A Q13627 1/20 0.49
DYRK2 Q92630 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
F10 P00742 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
MAPT P10636 2/20 0.35
PTGER1 P34995 1/20 0.34
CHRM3 P20309 4/20 0.33
ALDH1A1 P00352 1/20 0.33
XPO1 O14980 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
MME P08473 1/20 0.33
KCNH2 Q12809 1/20 0.33
PIM1 P11309 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7914652 0.91 DYRK3 (0.37) DYRK3DYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL7913078 0.90 DYRK3 (0.37) DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL7917981 0.88 DYRK3 (0.35) DYRK3DYRK1ADYRK2DYRK1BF10
SCHEMBL7916997 0.84 JAK2 (0.35) DYRK3DYRK1ADYRK2DYRK1BJAK2
SCHEMBL7912990 0.84 PARP1 (0.37) DYRK3DYRK1ADYRK2DYRK1BJAK2
SCHEMBL7902852 0.83 NPC1 (0.34) DYRK3DYRK1ADYRK2DYRK1BMAPT
SCHEMBL7915334 0.81 DHFR (0.32) SMN1; SMN2
SCHEMBL7902988 0.81 GRIN1 (0.32) LMNASMN1; SMN2
SCHEMBL7902845 0.80 PIM1 (0.31) PIM1
SCHEMBL7915330 0.78 MEN1 (0.36)

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-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed