SCHEMBL2370104

SCHEMBL2370104

OC1CCC(Nc2cc(CN3CCCC3)cc(Nc3nc4ccc(Br)cc4s3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 13/20 0.51
AURKB Q96GD4 12/20 0.47
LCK P06239 11/20 0.47
EGFR P00533 1/20 0.46
INSR P06213 1/20 0.46
SRC P12931 1/20 0.46
TEC P42680 1/20 0.46
TXK P42681 1/20 0.46
BMX P51813 1/20 0.46
BTK Q06187 1/20 0.46
LRRK2 Q5S007 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
CXCR3 P49682 1/20 0.46
FLT3 P36888 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
GAS6 Q14393 1/20 0.44
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2370097 1.00 ITK (0.51) ITKAURKBLCKEGFRINSR
SCHEMBL2402054 0.90 ITK (0.45) ITKAURKBLCKEGFRINSR
SCHEMBL2402050 0.90 ITK (0.45) ITKAURKBLCKEGFRINSR
SCHEMBL2397839 0.87 ITK (0.46) ITKAURKBLCKEGFRINSR
SCHEMBL2397837 0.87 ITK (0.46) ITKAURKBLCKEGFRINSR
SCHEMBL2370076 0.87 ITK (0.53) ITKAURKBLCKEGFRINSR
SCHEMBL2370087 0.87 ITK (0.53) ITKAURKBLCKEGFRINSR
SCHEMBL2370117 0.86 ITK (0.52) ITKAURKBLCKEGFRINSR
SCHEMBL2370105 0.86 ITK (0.52) ITKAURKBLCKEGFRINSR
SCHEMBL142742 0.86 ITK (0.58) ITKAURKBLCKEGFRINSR

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