SCHEMBL2233302

SCHEMBL2233302

CN(c1ccnc(-c2cnn3ccncc23)n1)[C@@H]1CCCN(C(=O)O)C1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.34
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
HCRTR1 O43613 1/20 0.32
BTK Q06187 6/20 0.32
LCK P06239 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
SCHEMBL2350007 0.80 JAK3 (0.44) JAK3JAK2JAK1LCK
SCHEMBL2233927 0.73 JAK2 (0.56) JAK3JAK2JAK1
SCHEMBL2229902 0.71 PCSK9 (0.41) JAK3
SCHEMBL22364301 0.71 JAK2 (0.66) JAK3JAK2JAK1
SCHEMBL2346942 0.67 JAK2 (0.48) JAK3JAK2JAK1
SCHEMBL2347670 0.67 JAK3 (0.45) JAK3JAK2JAK1HCRTR1LCK
SCHEMBL20240132 0.65 JAK2 (0.48) JAK3JAK2JAK1
SCHEMBL2231299 0.64 JAK3 (0.44) JAK3JAK2JAK1BTKLCK
SCHEMBL2230590 0.64 DYRK1A (0.35)
SCHEMBL15192871 0.64 EIF2AK4 (0.41) JAK3JAK2JAK1

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
WO-2011101161-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-08-25 WO disclosed
EP-2360158-A1 Pyrazole derivatives as jak inhibitors Almirall, S.A. (ES) 2011-08-24 EP disclosed