SCHEMBL2657574

SCHEMBL2657574

CC(C)(C)N1CCC(C(=O)CBr)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.34
HSD11B1 P28845 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ATM Q13315 1/20 0.32
GSK3B P49841 1/20 0.31
DYRK1A Q13627 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
SCHEMBL17713632 0.82 HSD11B1 (0.40) HSD11B1LMNASMN1; SMN2ATMGSK3B
SCHEMBL14855022 0.79 HSD11B1 (0.32) HSD11B1LMNASMN1; SMN2ATMGSK3B
SCHEMBL16133075 0.79 ABL1 (0.40) HSD11B1LMNASMN1; SMN2ATMGSK3B
SCHEMBL25530295 0.78 SMN1; SMN2 (0.34) HSD11B1LMNASMN1; SMN2ATMGSK3B
SCHEMBL942233 0.78 NLRP3 (0.41) NLRP3LMNASMN1; SMN2
Bromide SCHEMBL1646647 0.76 NLRP3 (0.40) NLRP3LMNASMN1; SMN2
SCHEMBL15141075 0.75 LMNA (0.36) HSD11B1LMNASMN1; SMN2ATMGSK3B
SCHEMBL1514800 0.75 LMNA (0.36) LMNASMN1; SMN2ATMGSK3BDYRK1A
SCHEMBL4767761 0.75 LMNA (0.53) LMNASMN1; SMN2
SCHEMBL190471 0.74 EPHX2 (0.41) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125801-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 EP disclosed
EP-2013204-A2 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS Array Biopharma, Inc. (US) 2009-01-14 EP disclosed
WO-2008095943-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 WO disclosed
WO-2008091770-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2008-07-31 WO disclosed
WO-2007117381-A9 2 -AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2008-03-27 WO disclosed
WO-2007117381-A2 2 -AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-10-18 WO disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 WO disclosed