SCHEMBL3632086

SCHEMBL3632086

COc1cc(N2CCN(C(C=O)n3ncc4cc(Cl)cnc43)CC2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.42
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BRD4 O60885 4/20 0.38
ALK Q9UM73 3/20 0.37

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
SCHEMBL5289677 0.88 CCR1 (0.42) CCR1LMNAMAPTBRD4ALK
SCHEMBL3632435 0.84 CCR1 (0.42) CCR1LMNAMAPTBRD4ALK
SCHEMBL4310454 0.83 CCR1 (0.43) CCR1LMNAMAPTBRD4
SCHEMBL3639158 0.82 RAB9A (0.42) CCR1LMNAMAPT
SCHEMBL4016748 0.82 CCR1 (0.56) CCR1LMNAMAPT
SCHEMBL3635177 0.81 RAB9A (0.41) CCR1MAPT
SCHEMBL3633791 0.81 CCR1 (0.42) CCR1LMNAMAPTBRD4
SCHEMBL3632583 0.81 CCR1 (0.41) CCR1LMNAMAPTBRD4ALK
SCHEMBL3632632 0.81 CCR1 (0.41) CCR1BRD4ALK
SCHEMBL3638408 0.80 CCR1 (0.40) CCR1LMNAMAPTBRD4ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155203-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2010-02-24 EP disclosed
WO-2008147822-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2008-12-04 WO disclosed
EP-1906965-A2 AZAINDAZOLE COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2008-04-09 EP disclosed
WO-2007002293-A2 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-01-04 WO disclosed