SCHEMBL4751086

SCHEMBL4751086

COc1cc(N2CCN(C(C=O)n3nc(S(C)(=O)=O)c4cccnc43)CC2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.46
ALK Q9UM73 5/20 0.42
MAPT P10636 2/20 0.41
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.37
ZAP70 P43403 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 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
SCHEMBL3635666 0.89 CCR1 (0.50) CCR1ALKMAPT
SCHEMBL3637059 0.88 CCR1 (0.49) CCR1ALKMAPTCYP2C19KCNH2
SCHEMBL3640142 0.87 CCR1 (0.48) CCR1ALKMAPTLMNACYP2C19
SCHEMBL2354678 0.87 CCR1 (0.48) CCR1ALKMAPT
SCHEMBL4696966 0.85 CCR1 (0.51) CCR1ALKMAPT
SCHEMBL3635896 0.85 CCR1 (0.48) CCR1ALKMAPT
SCHEMBL3632431 0.83 CCR1 (0.45) CCR1ALKMAPTLMNACYP2C19
SCHEMBL4565786 0.82 CCR1 (0.60) CCR1CYP2C19KCNH2
SCHEMBL3634930 0.82 CCR1 (0.46) CCR1ALKMAPT
SCHEMBL3632308 0.82 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