SCHEMBL2144208

SCHEMBL2144208

CC(C)(C)Nc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.44
JAK3 P52333 9/20 0.44
PTK2 Q05397 8/20 0.44
DHODH Q02127 1/20 0.41
KCNH3 Q9ULD8 1/20 0.41
JAK1 P23458 2/20 0.40
BRAF P15056 1/20 0.39
IDH2 P48735 1/20 0.37

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
SCHEMBL3302950 0.88 NPSR1 (0.43) JAK2JAK3PTK2DHODHKCNH3
SCHEMBL13392080 0.84 KCNH3 (0.54) JAK2JAK3PTK2DHODHKCNH3
SCHEMBL14457344 0.84 JAK2 (0.44) JAK2JAK3PTK2DHODHKCNH3
SCHEMBL2144674 0.80 KCNH3 (0.45) JAK2JAK3PTK2KCNH3JAK1
SCHEMBL2144963 0.80 KCNH3 (0.45) JAK2JAK3PTK2KCNH3JAK1
SCHEMBL2145112 0.80 KCNH3 (0.45) JAK2JAK3PTK2KCNH3JAK1
SCHEMBL3299482 0.80 JAK2 (0.48) JAK2JAK3PTK2KCNH3JAK1
SCHEMBL2144076 0.80 JAK2 (0.48) JAK2JAK3PTK2KCNH3JAK1
SCHEMBL14457373 0.79 KCNH3 (0.43) JAK2JAK3PTK2KCNH3BRAF
SCHEMBL14457330 0.78 CTSS (0.52) JAK2JAK3PTK2JAK1IDH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP claimed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO claimed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed