SCHEMBL1018050

SCHEMBL1018050

CC(C)(C)C(NC(=O)O)C1CCN(c2nc(Nc3ccc(C(N)=O)cc3)ncc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.53
LCK P06239 3/20 0.51
JAK2 O60674 8/20 0.47
AURKA O14965 2/20 0.47
AURKB Q96GD4 1/20 0.47
KCNH2 Q12809 1/20 0.47
JAK1 P23458 7/20 0.46
TYK2 P29597 7/20 0.46
KIT P10721 2/20 0.43
FLT3 P36888 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1017837 0.86 SYK (0.43) JAK3LCKJAK2JAK1TYK2
SCHEMBL1019485 0.80 ULK1 (0.52) JAK3JAK2JAK1TYK2
SCHEMBL4302285 0.79 JAK3 (0.57) JAK3LCKJAK2AURKAAURKB
SCHEMBL4302281 0.79 JAK3 (0.53) JAK3LCKJAK2AURKAAURKB
SCHEMBL1018676 0.79 JAK3 (0.57) JAK3LCKJAK2AURKAAURKB
SCHEMBL1018051 0.79 JAK3 (0.52) JAK3LCKJAK2AURKAAURKB
SCHEMBL1018107 0.78 JAK3 (0.54) JAK3LCKJAK2AURKAAURKB
SCHEMBL12082586 0.76 JAK3 (0.51) JAK3LCKJAK2AURKAAURKB
SCHEMBL1018581 0.74 GSK3A (0.52) JAK3LCKJAK2AURKAAURKB
SCHEMBL29706022 0.71 JAK3 (0.81) JAK3LCKAURKAKITFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP claimed
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed