SCHEMBL2369972

SCHEMBL2369972

Cc1nccn1Cc1cc(NCCCN2CCOCC2)nc(Nc2nc3ccc(-c4cncc(C#N)c4)cc3s2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.41
PIK3CA P42336 3/20 0.39
SRC P12931 4/20 0.39
CHEK1 O14757 1/20 0.38
LCK P06239 3/20 0.37
KDR P35968 1/20 0.35
USP2 O75604 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
LMNA P02545 1/20 0.35
ABL1 P00519 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL12291019 0.88 PIK3CG (0.45) PIK3CGPIK3CACHEK1CLK4LMNA
SCHEMBL2381309 0.87 PIK3CG (0.40) PIK3CGPIK3CASRCCHEK1LCK
SCHEMBL2370208 0.84 ALDH1A1 (0.44) PIK3CASRCLCKALDH1A1MAPT
SCHEMBL2369835 0.80 ITK (0.46) PIK3CGSRCLCK
SCHEMBL2425957 0.80 PIK3CG (0.43) PIK3CGSRCLCK
SCHEMBL2425952 0.80 PIK3CG (0.43) PIK3CGSRCLCK
SCHEMBL2369841 0.80 ITK (0.46) PIK3CGSRCLCK
SCHEMBL2371233 0.80 HTT (0.45) LCKABL1ALDH1A1MAPT
SCHEMBL2395076 0.75 ITK (0.47) PIK3CGSRCCHEK1LCKKDR
SCHEMBL2395080 0.75 ITK (0.47) PIK3CGSRCCHEK1LCKKDR

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