SCHEMBL5319685

SCHEMBL5319685

c1ccc2cc(-c3cnc(Nc4ccc5[nH]ncc5c4)o3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.54
GSK3B P49841 2/20 0.46
CDK5 Q00535 2/20 0.46
DYRK1A Q13627 2/20 0.46
DYRK3 O43781 1/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
CDK5R1 Q15078 1/20 0.46
DYRK2 Q92630 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
MKNK1 Q9BUB5 2/20 0.46
CDK2 P24941 2/20 0.45
CDC7 O00311 1/20 0.45
CCNE1 P24864 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
KDR P35968 6/20 0.45
FLT4 P35916 5/20 0.45
FLT1 P17948 4/20 0.45

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
SCHEMBL5336680 0.88 IMPDH2 (0.59) IMPDH2GSK3BCDK5DYRK1ADYRK3
SCHEMBL14465941 0.88 IMPDH2 (0.61) IMPDH2GSK3BCDK5DYRK1ADYRK3
SCHEMBL5339924 0.84 MKNK1 (0.57) IMPDH2MKNK1CDC7KDRFLT1
SCHEMBL5340647 0.84 KDR (0.54) IMPDH2GSK3BCDK5DYRK1ADYRK3
SCHEMBL5333205 0.84 IMPDH2 (0.53) IMPDH2MKNK1CDC7KDRFLT4
SCHEMBL5333863 0.84 VCP (0.58) IMPDH2MKNK1CDC7KDRFLT4
SCHEMBL5316809 0.84 NOS1 (0.48) IMPDH2CLK4MKNK1CDC7KDR
SCHEMBL5335613 0.84 CDC7 (0.58) IMPDH2MKNK1CDC7KDRFLT4
SCHEMBL5336433 0.84 MKNK1 (0.51) IMPDH2MKNK1CDC7KDRFLT4
SCHEMBL5343891 0.84 VCP (0.58) IMPDH2GSK3BDYRK1ACLK2CLK4

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-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO claimed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed