SCHEMBL2398258

SCHEMBL2398258

OC1CCC(Nc2cccc(Nc3nc4ccc(-c5cnc6cc[nH]c6c5)cc4s3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.46
ITK Q08881 8/20 0.45
IRAK4 Q9NWZ3 2/20 0.45
AURKB Q96GD4 8/20 0.42
LCK P06239 7/20 0.42
HSP90AA1 P07900 1/20 0.42
EGFR P00533 1/20 0.41
INSR P06213 1/20 0.41
SRC P12931 1/20 0.41
TEC P42680 1/20 0.41
TXK P42681 1/20 0.41
BMX P51813 1/20 0.41
BTK Q06187 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41

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
SCHEMBL2398260 1.00 ABL1 (0.46) ABL1ITKIRAK4AURKBLCK
SCHEMBL2396032 0.90 ITK (0.49) ABL1ITKIRAK4AURKBLCK
SCHEMBL2396030 0.90 ITK (0.49) ABL1ITKIRAK4AURKBLCK
SCHEMBL2397630 0.84 ITK (0.47) ABL1ITKIRAK4AURKBLCK
SCHEMBL2397627 0.84 ITK (0.47) ABL1ITKIRAK4AURKBLCK
SCHEMBL2397647 0.84 ABL1 (0.56) ABL1ITKIRAK4AURKBLCK
SCHEMBL2397651 0.84 ABL1 (0.56) ABL1ITKIRAK4AURKBLCK
SCHEMBL2396679 0.83 ITK (0.57) ABL1ITKIRAK4AURKBLCK
SCHEMBL2396683 0.83 ITK (0.57) ABL1ITKIRAK4AURKBLCK
SCHEMBL2370649 0.83 ITK (0.51) ITKIRAK4AURKBLCKEGFR

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