SCHEMBL2398519

SCHEMBL2398519

CC1(C)CCCN(Cc2cc(Nc3nc4cccnc4s3)nc(N[C@H]3CC[C@H](O)CC3)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITK Q08881 14/20 0.55
AURKB Q96GD4 11/20 0.55
LCK P06239 11/20 0.55
SSTR5 P35346 1/20 0.45
RORC P51449 1/20 0.43
DHODH Q02127 1/20 0.43
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
BTK Q06187 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CDC7 O00311 1/20 0.36
LTA4H P09960 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
SCHEMBL2398530 1.00 ITK (0.55) ITKAURKBLCKSSTR5RORC
SCHEMBL2370863 0.91 ITK (0.60) ITKAURKBLCKSSTR5RORC
SCHEMBL2370895 0.91 ITK (0.60) ITKAURKBLCKSSTR5RORC
SCHEMBL2399344 0.90 ITK (0.59) ITKAURKBLCKSSTR5RORC
SCHEMBL2399332 0.90 ITK (0.59) ITKAURKBLCKSSTR5RORC
SCHEMBL12290901 0.89 ITK (0.57) ITKAURKBLCKSSTR5RORC
SCHEMBL143015 0.88 ITK (0.66) ITKAURKBLCKSSTR5RORC
SCHEMBL143016 0.88 ITK (0.66) ITKAURKBLCKSSTR5RORC
SCHEMBL2398982 0.85 ITK (0.57) ITKAURKBLCKSSTR5RORC
SCHEMBL2398991 0.85 ITK (0.57) ITKAURKBLCKSSTR5RORC

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 claimed