SCHEMBL2397504

SCHEMBL2397504

COCCNCc1cncc(-c2ccc3nc(Nc4cccc(N[C@H]5CC[C@H](O)CC5)n4)sc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
ITK Q08881 11/20 0.44
AURKB Q96GD4 10/20 0.44
LCK P06239 9/20 0.44
EGFR P00533 1/20 0.42
INSR P06213 1/20 0.42
SRC P12931 1/20 0.42
TEC P42680 1/20 0.42
TXK P42681 1/20 0.42
BMX P51813 1/20 0.42
BTK Q06187 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
PIK3CG P48736 3/20 0.38
LIPG Q9Y5X9 2/20 0.37
PIK3CA P42336 1/20 0.36

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
SCHEMBL2397514 1.00 PIK3CD (0.45) PIK3CDITKAURKBLCKEGFR
SCHEMBL2394278 0.90 ITK (0.46) PIK3CDITKAURKBLCKEGFR
SCHEMBL2394293 0.90 ITK (0.46) PIK3CDITKAURKBLCKEGFR
SCHEMBL139288 0.89 AURKB (0.46) PIK3CDITKAURKBLCKEGFR
SCHEMBL139287 0.89 AURKB (0.46) PIK3CDITKAURKBLCKEGFR
SCHEMBL2398427 0.88 ITK (0.48) PIK3CDITKAURKBLCKEGFR
SCHEMBL2398437 0.88 ITK (0.48) PIK3CDITKAURKBLCKEGFR
SCHEMBL2400258 0.86 ITK (0.47) PIK3CDITKAURKBLCKEGFR
SCHEMBL2400272 0.86 ITK (0.47) PIK3CDITKAURKBLCKEGFR
SCHEMBL2397592 0.84 PIK3CD (0.46) PIK3CDITKAURKBLCKEGFR

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