SCHEMBL3636075

SCHEMBL3636075

COc1cc(N2CCN(C(C=O)n3cc4cccnc4n3)CC2)c(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PPOX P50336 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35
ALK Q9UM73 2/20 0.34
SUV39H2 Q9H5I1 5/20 0.34
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
MALT1 Q9UDY8 3/20 0.32
JAK3 P52333 1/20 0.32
HTR1A P08908 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL3632485 0.87 PPOX (0.35) ALDH1A1LMNASMN1; SMN2PPOXTP53
SCHEMBL4694944 0.85 CCR1 (0.41) ALKSUV39H2
SCHEMBL3635137 0.82 ALK (0.37) ALDH1A1LMNASMN1; SMN2PPOXTP53
SCHEMBL3866250 0.77 ALDH1A1 (0.35) ALDH1A1LMNASMN1; SMN2PPOXTP53
SCHEMBL1637613 0.76 CCR1 (0.49) LMNAHSD17B10
SCHEMBL3639958 0.74 ALDH1A1 (0.35) ALDH1A1LMNASMN1; SMN2PPOXTP53
SCHEMBL4016337 0.73 CCR1 (0.37) ALDH1A1LMNASMN1; SMN2PPOXTP53
SCHEMBL4019923 0.73 PPOX (0.45) ALDH1A1LMNASMN1; SMN2PPOXTP53
SCHEMBL3637368 0.72 CCR1 (0.41) SUV39H2
SCHEMBL4013750 0.72 CCR1 (0.41) ALDH1A1LMNASMN1; SMN2PPOXTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155203-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2010-02-24 EP disclosed
WO-2008147822-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2008-12-04 WO disclosed
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