SCHEMBL2398991

SCHEMBL2398991

OC1CCC(Nc2cc(CN3CCOCC3)cc(Nc3nc4cccnc4s3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 10/20 0.57
LCK P06239 8/20 0.57
AURKB Q96GD4 8/20 0.57
SSTR5 P35346 1/20 0.47
RORC P51449 1/20 0.42
DHODH Q02127 1/20 0.42
TYRO3 Q06418 3/20 0.40
MERTK Q12866 3/20 0.40
AXL P30530 2/20 0.40
FLT3 P36888 2/20 0.40
GAS6 Q14393 2/20 0.40
KDR P35968 1/20 0.40
PIK3CA P42336 1/20 0.39
HSP90AA1 P07900 1/20 0.38
EGFR P00533 1/20 0.38
INSR P06213 1/20 0.38
SRC P12931 1/20 0.38
TEC P42680 1/20 0.38
TXK P42681 1/20 0.38
BMX P51813 1/20 0.38

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
SCHEMBL2398982 1.00 ITK (0.57) ITKLCKAURKBSSTR5RORC
SCHEMBL2370863 0.92 ITK (0.60) ITKLCKAURKBSSTR5RORC
SCHEMBL2370895 0.92 ITK (0.60) ITKLCKAURKBSSTR5RORC
SCHEMBL2399332 0.91 ITK (0.59) ITKLCKAURKBSSTR5RORC
SCHEMBL2399344 0.91 ITK (0.59) ITKLCKAURKBSSTR5RORC
SCHEMBL2395616 0.87 ITK (0.56) ITKLCKAURKBSSTR5RORC
SCHEMBL139139 0.87 LCK (0.70) ITKLCKAURKBSSTR5RORC
SCHEMBL139140 0.87 LCK (0.70) ITKLCKAURKBSSTR5RORC
SCHEMBL2370961 0.86 ITK (0.59) ITKLCKAURKBSSTR5EGFR
SCHEMBL2370951 0.86 ITK (0.59) ITKLCKAURKBSSTR5EGFR

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 2 patents. 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 claimed
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