SCHEMBL413870

SCHEMBL413870

N#CC1(c2ccc3ncsc3c2)C=CC=NC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
OTUD7B Q6GQQ9 1/20 0.33
USP30 Q70CQ3 2/20 0.32
DYRK2 Q92630 10/20 0.32
DYRK1B Q9Y463 10/20 0.32
CLK1 P49759 9/20 0.32
CLK4 Q9HAZ1 8/20 0.32
CSNK2A2 P19784 2/20 0.32
CSNK2B P67870 2/20 0.32
CSNK2A1 P68400 2/20 0.32
PIK3CD O00329 1/20 0.32
PRKCB P05771 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL1799071 0.63 KDM4E (0.49) DYRK1AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL31214345 0.62 DYRK1A (0.72) DYRK1AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL28186595 0.61 DYRK1A (0.42) DYRK1AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL838020 0.61 KDM4E (0.44) DYRK1AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL838517 0.61 NPC1 (0.54) L3MBTL1KDM4ENPC1RAB9AHKDC1
SCHEMBL23480172 0.59 NPC1 (0.52) DYRK1AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL411780 0.59 NPC1 (0.44) DYRK1AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL2586408 0.59 ADORA2A (0.56) DYRK1ACLK4ALDH1A1HSD17B10RIPK1
SCHEMBL31314979 0.58 ALDH1A1 (0.58) DYRK1AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL3396673 0.57 NPC1 (0.53) DYRK1AL3MBTL1KDM4ENPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408769-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS Glaxo Group Limited (GB) 2012-01-25 EP disclosed
WO-2011110575-A1 DERIVATIVES OF 2-[2-(BENZO- OR PYRIDO-) THIAZOLYLAMINO]-6-AMINOPYRIDINE, USEFUL IN THE TREATMENT OF RESPIRATORIC, ALLERGIC OR INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2011-09-15 WO disclosed
WO-2010106016-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2010-09-23 WO disclosed