SCHEMBL1694683

SCHEMBL1694683

CC(c1ncc(F)cn1)N1CNc2cnc(-c3cnc4ccc(F)cn34)nc21

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.57
JAK3 P52333 11/20 0.57
JAK1 P23458 10/20 0.57
EIF2AK4 Q9P2K8 8/20 0.34
ADORA2A P29274 1/20 0.33

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
SCHEMBL1693880 1.00 JAK2 (0.57) JAK2JAK3JAK1EIF2AK4ADORA2A
SCHEMBL1693853 0.73 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL1693851 0.73 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL12067750 0.69 JAK2 (0.52) JAK2JAK3JAK1
SCHEMBL1996420 0.67 JAK2 (0.47) JAK2JAK3JAK1EIF2AK4ADORA2A
SCHEMBL1694180 0.66 JAK2 (0.50) JAK2JAK3JAK1
SCHEMBL1694185 0.66 JAK2 (0.50) JAK2JAK3JAK1
SCHEMBL2038337 0.66 JAK2 (0.55) JAK2JAK3JAK1EIF2AK4
SCHEMBL2038340 0.66 JAK2 (0.55) JAK2JAK3JAK1EIF2AK4
SCHEMBL1994455 0.65 JAK2 (0.46) JAK2JAK3JAK1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582703-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2013-04-24 EP claimed
WO-2011157397-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-12-22 WO claimed