SCHEMBL2369772

SCHEMBL2369772

O=C1OCCN1c1ccc2nc(Nc3cc(Cn4cccn4)cc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 14/20 0.43
LCK P06239 13/20 0.42
AURKB Q96GD4 12/20 0.42
IRAK4 Q9NWZ3 2/20 0.42
SRC P12931 2/20 0.42
EGFR P00533 1/20 0.42
INSR P06213 1/20 0.42
TEC P42680 1/20 0.42
TXK P42681 1/20 0.42
BMX P51813 1/20 0.42
BTK Q06187 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK6 Q00534 1/20 0.32

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
SCHEMBL2369767 1.00 ITK (0.43) ITKLCKAURKBIRAK4SRC
SCHEMBL2400507 0.87 ITK (0.46) ITKLCKAURKBIRAK4SRC
SCHEMBL2400516 0.87 ITK (0.46) ITKLCKAURKBIRAK4SRC
SCHEMBL2370290 0.86 ITK (0.41) ITKLCKAURKBIRAK4SRC
SCHEMBL2370293 0.86 ITK (0.41) ITKLCKAURKBIRAK4SRC
SCHEMBL2399268 0.84 ITK (0.42) ITKLCKAURKBIRAK4SRC
SCHEMBL2399275 0.84 ITK (0.42) ITKLCKAURKBIRAK4SRC
SCHEMBL2400447 0.84 ITK (0.42) ITKLCKAURKBIRAK4SRC
SCHEMBL2400450 0.84 ITK (0.42) ITKLCKAURKBIRAK4SRC
SCHEMBL2397085 0.84 ITK (0.47) ITKLCKAURKBIRAK4SRC

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