SCHEMBL27735658

SCHEMBL27735658

COc1cc(N2CCN(C(Cn3nc(-c4nccs4)c4cccnc43)C(=O)C(Cn3nc(-c4nccs4)c4cccnc43)N3CCN(c4ccc(Cl)c(OC)c4)CC3)CC2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.54
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALK Q9UM73 1/20 0.38

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
SCHEMBL27735661 0.88 CCR1 (0.51) CCR1CYP2C19KCNH2ALK
SCHEMBL1637582 0.85 CCR1 (0.73) CCR1CYP2C19KCNH2
SCHEMBL3632308 0.82 CCR1 (0.46) CCR1ALK
SCHEMBL3468956 0.77 CCR1 (0.59) CCR1CYP2C19KCNH2
SCHEMBL12726256 0.75 CCR1 (0.58) CCR1CYP2C19KCNH2
SCHEMBL14723929 0.75 CCR1 (0.73) CCR1CYP2C19KCNH2
SCHEMBL28780517 0.73 CCR1 (0.54) CCR1CYP2C19KCNH2
SCHEMBL27764766 0.73 CCR1 (0.58) CCR1CYP2C19KCNH2
SCHEMBL28812576 0.73 CCR1 (0.58) CCR1KCNH2ALK
SCHEMBL27786535 0.73 CCR1 (0.50) CCR1CYP2C19KCNH2

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
CN-101242839-B Azaindazole compounds and methods of use CHEMOCENTRYX INC 2012-11-07 CN disclosed
CN-101242839-A Azaindazole compounds and methods of use CHEMOCENTRYX INC (US) 2008-08-13 CN disclosed