SCHEMBL8022002

SCHEMBL8022002

CC(=O)/C=C1\Sc2ccc(-c3ccccn3)cc2N1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.46
DYRK1A Q13627 8/20 0.44
CLK1 P49759 7/20 0.44
ALDH1A1 P00352 8/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 6/20 0.42
KDM4E B2RXH2 3/20 0.42
PKM P14618 2/20 0.42
HSD17B10 Q99714 4/20 0.42
CSNK1E P49674 3/20 0.42
CLK3 P49761 3/20 0.42
DYRK1B Q9Y463 3/20 0.42
CLK2 P49760 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42

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
SCHEMBL8034409 0.86 CLK1 (0.61) MAPTSMN1; SMN2MEN1KMT2ADYRK1A
SCHEMBL4013603 0.80 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9357971 0.76 ALDH1A1 (0.71) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9357967 0.76 ALDH1A1 (0.71) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8032406 0.75 DYRK1A (0.68) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL24718936 0.74 DYRK1A (0.49) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4154294 0.74 DYRK1A (0.49) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4016943 0.74 DYRK1A (0.49) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4012203 0.72 DYRK1A (0.48) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4012059 0.72 MAPT (0.70) MAPTNPC1RAB9ASMN1; SMN2MEN1

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-2009085226-A2 INHIBITORS OF CDC2-LIKE KINASES (CLKS) AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed