SCHEMBL2396582

SCHEMBL2396582

O=COC1CCC(Nc2cccc(Nc3nc4ccc(-c5cncc(Oc6ccccc6)c5)cc4s3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.46
PIK3CG P48736 10/20 0.40
PIK3CA P42336 6/20 0.40
ITK Q08881 4/20 0.38
LCK P06239 2/20 0.36
AURKB Q96GD4 2/20 0.36
ABL1 P00519 2/20 0.35
CSF1R P07333 1/20 0.35
PIP5K1C O60331 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PI4KB Q9UBF8 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
Formic Acid SCHEMBL2396584 0.89 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2399204 0.88 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2399210 0.88 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2401283 0.78 PIK3CD (0.60) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2401269 0.78 PIK3CD (0.60) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2402107 0.78 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2398651 0.78 PIK3CG (0.56) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2402111 0.78 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2398648 0.78 PIK3CG (0.56) PIK3CDPIK3CGPIK3CAITKLCK
SCHEMBL2396496 0.77 PIK3CG (0.52) PIK3CDPIK3CGPIK3CAITKLCK

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