SCHEMBL3639637

SCHEMBL3639637

COc1cc(N2CCN(C(C=O)n3ncc4ncc[n+]([O-])c43)CC2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.40
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
BRD4 O60885 5/20 0.36
EGFR P00533 2/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4695548 0.83 CCR1 (0.42) CCR1LMNAMAPTBRD4ALDH1A1
SCHEMBL4016748 0.79 CCR1 (0.56) CCR1LMNAMAPTALDH1A1
SCHEMBL3638408 0.79 CCR1 (0.40) CCR1LMNAMAPTBRD4
SCHEMBL4693246 0.79 CCR1 (0.43) CCR1BRD4ALDH1A1
SCHEMBL3632086 0.78 CCR1 (0.42) CCR1LMNAMAPTBRD4
SCHEMBL3636885 0.78 CCR1 (0.41) CCR1LMNAMAPTBRD4
SCHEMBL1639621 0.78 CCR1 (0.65) CCR1
SCHEMBL5289677 0.78 CCR1 (0.42) CCR1LMNAMAPTBRD4
SCHEMBL3819440 0.77 SIRT6 (0.49) CCR1LMNAMAPTBRD4ALDH1A1
SCHEMBL3633791 0.76 CCR1 (0.42) CCR1LMNAMAPTBRD4

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