SCHEMBL7930902

SCHEMBL7930902

C=C(OCC)N(C(=O)OCC)c1ccc(Cc2cc(-c3cccc(Cl)c3)c3nc(C)nn3c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
DYRK3 O43781 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
MAPT P10636 4/20 0.34
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP2C19 P33261 3/20 0.33
CHRM3 P20309 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 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
SCHEMBL7932127 0.80 DYRK3 (0.51) XPO1GPR119DYRK3DYRK1ADYRK2
SCHEMBL7928993 0.77 RAB9A (0.41) MAPTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7928989 0.76 PIK3CD (0.38) DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL3380292 0.67 SLC6A9 (0.37) GPR119CYP2C19HPGDPDE4DJAK2
SCHEMBL3377566 0.67 DYRK3 (0.50) XPO1GPR119DYRK3DYRK1ADYRK2
SCHEMBL7934179 0.65 DYRK3 (0.50) XPO1DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL7916997 0.65 JAK2 (0.35) XPO1GPR119DYRK3DYRK1ADYRK2
SCHEMBL3377711 0.64 KMT2A (0.40) GPR119MAPTGABRA2GABRB2CYP2C19
SCHEMBL3380818 0.64 PDE4D (0.40) GPR119DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL3378344 0.62 ABL1 (0.39) DYRK3DYRK1ADYRK2DYRK1BSMN1; SMN2

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