SCHEMBL4013603

SCHEMBL4013603

CC(=O)/C=C1\Sc2ccc(-c3ccncc3)cc2N1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
ALDH1A1 P00352 8/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 3/20 0.47
TP53 P04637 3/20 0.47
PKM P14618 3/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
ALOX15 P16050 2/20 0.47
ALOX12 P18054 1/20 0.47
BRCA1 P38398 1/20 0.47
DYRK1A Q13627 9/20 0.45
CLK1 P49759 8/20 0.45
CSNK1E P49674 3/20 0.45
CLK3 P49761 3/20 0.45
DYRK1B Q9Y463 3/20 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
SCHEMBL4448323 0.85 CLK1 (0.66) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8022002 0.80 MAPT (0.46) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL8032406 0.79 DYRK1A (0.68) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL4154294 0.78 DYRK1A (0.49) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL4016943 0.78 DYRK1A (0.49) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL24718936 0.78 DYRK1A (0.49) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL4012059 0.76 MAPT (0.70) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL8036325 0.76 DYRK1A (0.50) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL4012203 0.76 DYRK1A (0.48) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL4016959 0.76 DYRK1A (0.47) MAPTALDH1A1NPC1RAB9AMEN1

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