SCHEMBL2398154

SCHEMBL2398154

OC1CCC(Nc2cccc(Nc3nc4ccc(-c5cnoc5)cc4s3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITK Q08881 11/20 0.48
AURKB Q96GD4 10/20 0.45
LCK P06239 9/20 0.45
IRAK4 Q9NWZ3 2/20 0.44
EGFR P00533 1/20 0.44
INSR P06213 1/20 0.44
SRC P12931 1/20 0.44
TEC P42680 1/20 0.44
TXK P42681 1/20 0.44
BMX P51813 1/20 0.44
BTK Q06187 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
CCNT1 O60563 1/20 0.38
PIK3CD O00329 1/20 0.38
ABL1 P00519 3/20 0.37

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
SCHEMBL2398141 1.00 ITK (0.48) ITKAURKBLCKIRAK4EGFR
SCHEMBL2396679 0.86 ITK (0.57) ITKAURKBLCKIRAK4EGFR
SCHEMBL2396683 0.86 ITK (0.57) ITKAURKBLCKIRAK4EGFR
SCHEMBL2370604 0.86 ITK (0.49) ITKAURKBLCKIRAK4EGFR
SCHEMBL2370596 0.86 ITK (0.49) ITKAURKBLCKIRAK4EGFR
SCHEMBL2370095 0.85 ITK (0.51) ITKAURKBLCKIRAK4EGFR
SCHEMBL2370102 0.85 ITK (0.51) ITKAURKBLCKIRAK4EGFR
SCHEMBL2369714 0.84 PIK3CA (0.52) ITKAURKBLCKIRAK4EGFR
SCHEMBL2370649 0.84 ITK (0.51) ITKAURKBLCKIRAK4EGFR
SCHEMBL2369722 0.84 PIK3CA (0.52) ITKAURKBLCKIRAK4EGFR

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