SCHEMBL1993984

SCHEMBL1993984

Cc1cnc(-c2cnc3ccc(F)cn23)nc1N[C@@H]1CCCN(C(=O)O)C1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.40
JAK3 P52333 9/20 0.40
JAK1 P23458 8/20 0.40
EIF2AK4 Q9P2K8 8/20 0.38
ADORA2A P29274 3/20 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
SCHEMBL1994799 0.91 EIF2AK4 (0.41) JAK2JAK3JAK1EIF2AK4
SCHEMBL1996538 0.81 EIF2AK4 (0.42) JAK2JAK3JAK1EIF2AK4
SCHEMBL2031299 0.80 JAK3 (0.47) JAK2JAK3JAK1EIF2AK4ADORA2A
SCHEMBL2034967 0.78 JAK3 (0.43) JAK2JAK3JAK1EIF2AK4ADORA2A
SCHEMBL1993982 0.76 EIF2AK4 (0.43) JAK2JAK3JAK1EIF2AK4
SCHEMBL1992253 0.75 EIF2AK4 (0.42) JAK2JAK3JAK1EIF2AK4
SCHEMBL1994795 0.75 EIF2AK4 (0.42) JAK2JAK3JAK1EIF2AK4ADORA2A
SCHEMBL1997370 0.75 EIF2AK4 (0.42) JAK2JAK3JAK1EIF2AK4ADORA2A
SCHEMBL15194120 0.74 EIF2AK4 (0.43) JAK2JAK3JAK1EIF2AK4
SCHEMBL15194122 0.74 EIF2AK4 (0.43) JAK2JAK3JAK1EIF2AK4

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-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 EP disclosed