SCHEMBL4017956

SCHEMBL4017956

COc1ccc2sc(/C=C/c3ccccc3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
CYP1A2 P05177 2/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51
NPC1 O15118 2/20 0.51
TRPA1 O75762 1/20 0.50
ATP4A P20648 10/20 0.49
ATP4B P51164 10/20 0.49
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49

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
SCHEMBL4017957 1.00 RAB9A (0.54) RAB9AMEN1MAPTKMT2AKDM4E
SCHEMBL28280854 0.86 MEN1 (0.50) RAB9AMEN1MAPTKMT2AKDM4E
SCHEMBL825345 0.83 MEN1 (0.66) RAB9AMEN1MAPTKMT2AKDM4E
SCHEMBL825346 0.83 MEN1 (0.66) RAB9AMEN1MAPTKMT2AKDM4E
SCHEMBL4012221 0.82 RAB9A (0.49) RAB9AMEN1MAPTKMT2AKDM4E
SCHEMBL28156830 0.82 RAB9A (0.47) RAB9AMEN1MAPTKMT2AKDM4E
SCHEMBL4360035 0.82 MAPT (0.59) RAB9AMEN1MAPTKMT2AKDM4E
SCHEMBL4360036 0.82 MAPT (0.59) RAB9AMEN1MAPTKMT2AKDM4E
SCHEMBL28156829 0.81 RAB9A (0.45) RAB9AMEN1MAPTKMT2AKDM4E
SCHEMBL13936229 0.80 ATP4A (0.66) RAB9AMEN1MAPTKMT2AKDM4E

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