SCHEMBL17685348

SCHEMBL17685348

Nc1nn(C2CCNCC2)c2cc(Nc3nc4cccc(CC5CCOCC5)n4n3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.34
JAK3 P52333 9/20 0.34
PTK2 Q05397 8/20 0.34
CDK4 P11802 2/20 0.34
CDK6 Q00534 2/20 0.34
KCNH3 Q9ULD8 1/20 0.32
GRM4 Q14833 2/20 0.32
LRRK2 Q5S007 1/20 0.32
KHK P50053 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
TTK P33981 1/20 0.32
PIK3CD O00329 2/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31

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
SCHEMBL3304622 0.94 JAK2 (0.35) JAK2JAK3PTK2CDK4CDK6
SCHEMBL3300972 0.80 GRM4 (0.40) JAK2JAK3PTK2GRM4KHK
SCHEMBL2145126 0.76 JAK2 (0.39) JAK2JAK3PTK2GRM4JAK1
SCHEMBL2145009 0.75 JAK2 (0.39) JAK2JAK3PTK2GRM4JAK1
SCHEMBL2144820 0.75 GRM4 (0.39) JAK2JAK3PTK2GRM4
SCHEMBL3309539 0.75 GRM4 (0.41) JAK2JAK3PTK2GRM4
SCHEMBL2144566 0.73 GRM4 (0.39) JAK2JAK3PTK2GRM4LRRK2
SCHEMBL19981194 0.73 JAK2 (0.39) JAK2JAK3PTK2JAK1
SCHEMBL13391239 0.73 GRM4 (0.40) JAK2JAK3PTK2GRM4LRRK2
SCHEMBL2144312 0.73 GRM4 (0.39) JAK2JAK3PTK2GRM4

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
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed