SCHEMBL2425952

SCHEMBL2425952

Cc1nccn1Cc1cc(Nc2nc3ccc(-c4cncc(C#N)c4)cc3s2)nc(NC2CCC(N)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.43
IRAK4 Q9NWZ3 3/20 0.39
LCK P06239 3/20 0.38
ITK Q08881 3/20 0.38
AURKB Q96GD4 3/20 0.38
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
DYRK2 Q92630 3/20 0.33
USP30 Q70CQ3 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
CSF1R P07333 4/20 0.32
EGFR P00533 1/20 0.32
INSR P06213 1/20 0.32
SRC P12931 1/20 0.32
TEC P42680 1/20 0.32
TXK P42681 1/20 0.32
BMX P51813 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
SCHEMBL2425957 1.00 PIK3CG (0.43) PIK3CGIRAK4LCKITKAURKB
SCHEMBL2369835 0.93 ITK (0.46) PIK3CGIRAK4LCKITKAURKB
SCHEMBL2369841 0.93 ITK (0.46) PIK3CGIRAK4LCKITKAURKB
SCHEMBL12291019 0.84 PIK3CG (0.45) PIK3CGAURKBADORA3ADORA2AADORA1
SCHEMBL2415079 0.81 ITK (0.45) PIK3CGIRAK4LCKITKAURKB
SCHEMBL2415082 0.81 ITK (0.45) PIK3CGIRAK4LCKITKAURKB
SCHEMBL2369972 0.80 PIK3CG (0.41) PIK3CGLCKSRC
SCHEMBL2370067 0.80 ITK (0.48) PIK3CGIRAK4LCKITKAURKB
SCHEMBL2370070 0.80 ITK (0.48) PIK3CGIRAK4LCKITKAURKB
SCHEMBL2370427 0.79 ITK (0.52) PIK3CGIRAK4LCKITKAURKB

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-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