SCHEMBL4693246

SCHEMBL4693246

COc1cc(N2CCN(C(C=O)n3ncc4ncc(O)cc43)CC2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 16/20 0.43
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALK Q9UM73 1/20 0.36

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 0.86 CCR1 (0.42) CCR1BRD4ALDH1A1ALK
SCHEMBL4310454 0.81 CCR1 (0.43) CCR1BRD4ALDH1A1
SCHEMBL4016748 0.81 CCR1 (0.56) CCR1ALDH1A1CYP2C19KCNH2
SCHEMBL3633791 0.80 CCR1 (0.42) CCR1BRD4
SCHEMBL3636885 0.79 CCR1 (0.41) CCR1BRD4
SCHEMBL3639637 0.79 CCR1 (0.40) CCR1BRD4ALDH1A1
SCHEMBL3632086 0.78 CCR1 (0.42) CCR1BRD4ALK
SCHEMBL3636662 0.77 CCR1 (0.43) CCR1BRD4CYP2C19KCNH2ALK
SCHEMBL3639158 0.77 RAB9A (0.42) CCR1
SCHEMBL5289677 0.77 CCR1 (0.42) CCR1BRD4ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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