SCHEMBL4695548

SCHEMBL4695548

COc1cc(N2CCN(C(C=O)n3ncc4ncccc43)CC2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.42
ALK Q9UM73 2/20 0.40
ALDH1A1 P00352 1/20 0.37
RXRA P19793 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
BRD4 O60885 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
SCHEMBL4693246 0.86 CCR1 (0.43) CCR1ALKALDH1A1BRD4
SCHEMBL4310454 0.86 CCR1 (0.43) CCR1ALDH1A1MAPTLMNABRD4
SCHEMBL3639637 0.83 CCR1 (0.40) CCR1ALDH1A1MAPTLMNABRD4
SCHEMBL3633791 0.82 CCR1 (0.42) CCR1MAPTLMNABRD4
SCHEMBL3636885 0.82 CCR1 (0.41) CCR1MAPTLMNABRD4
SCHEMBL3636906 0.81 CCR1 (0.42) CCR1ALKALDH1A1RXRAGRIN1
SCHEMBL4016748 0.81 CCR1 (0.56) CCR1ALDH1A1MAPTLMNA
SCHEMBL3635666 0.80 CCR1 (0.50) CCR1ALKMAPT
SCHEMBL3636662 0.80 CCR1 (0.43) CCR1ALKMAPTLMNABRD4
SCHEMBL3634696 0.80 CCR1 (0.46) CCR1ALKMAPT

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