SCHEMBL14723930

SCHEMBL14723930

COc1cc(N2CCN(C(=O)Cn3nc(-c4ccco4)c4cccnc43)CC2)ccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.73
CYP2C19 P33261 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL1637676 0.89 CCR1 (0.73) CCR1CYP2C19KCNH2
SCHEMBL1638663 0.86 CCR1 (0.76) CCR1CYP2C19KCNH2
SCHEMBL1639474 0.86 CCR1 (0.75) CCR1CYP2C19KCNH2
SCHEMBL1639844 0.85 CCR1 (0.72) CCR1CYP2C19KCNH2
SCHEMBL1638717 0.85 CCR1 (0.74) CCR1CYP2C19KCNH2
SCHEMBL3464057 0.85 CCR1 (0.71) CCR1CYP2C19KCNH2
SCHEMBL1637482 0.84 CCR1 (0.73) CCR1CYP2C19KCNH2
SCHEMBL12766295 0.84 CCR1 (0.73) CCR1CYP2C19KCNH2
SCHEMBL1639649 0.84 CCR1 (0.73) CCR1CYP2C19KCNH2
SCHEMBL1639727 0.84 CCR1 (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383630-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2013-02-26 US disclosed