SCHEMBL3636662

SCHEMBL3636662

COc1cc(N2CCN(C(C=O)n3ncc4c(S(C)(=O)=O)nccc43)CC2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.43
ALK Q9UM73 4/20 0.39
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
TTK P33981 1/20 0.36
BRD4 O60885 1/20 0.35
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL3636885 0.87 CCR1 (0.41) CCR1MAPTLMNABRD4
SCHEMBL3632431 0.86 CCR1 (0.45) CCR1ALKMAPTLMNACYP2C19
SCHEMBL3637930 0.85 CCR1 (0.40) CCR1ALKMAPTLMNA
SCHEMBL3632583 0.80 CCR1 (0.41) CCR1ALKMAPTLMNABRD4
SCHEMBL4695548 0.80 CCR1 (0.42) CCR1ALKMAPTLMNABRD4
SCHEMBL4751086 0.80 CCR1 (0.46) CCR1ALKMAPTLMNACYP2C19
SCHEMBL4565786 0.79 CCR1 (0.60) CCR1CYP2C19KCNH2
SCHEMBL3633791 0.79 CCR1 (0.42) CCR1MAPTLMNABRD4
SCHEMBL4310454 0.78 CCR1 (0.43) CCR1MAPTLMNABRD4
SCHEMBL3639158 0.78 RAB9A (0.42) CCR1MAPTLMNA

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