SCHEMBL3635137

SCHEMBL3635137

COc1cc(N2CCN(C(C=O)n3ncc4cccnc43)CC2)c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPOX P50336 2/20 0.35
SLC2A1 P11166 2/20 0.35
SLC2A2 P11168 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
INSR P06213 1/20 0.34
IGF1R P08069 1/20 0.34
JAK3 P52333 1/20 0.34
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL3638542 0.88 TRPV1 (0.34) ALKALDH1A1LMNASMN1; SMN2HTT
SCHEMBL3636075 0.82 ALDH1A1 (0.36) ALKALDH1A1LMNASMN1; SMN2HTT
SCHEMBL3639958 0.78 ALDH1A1 (0.35) ALKALDH1A1LMNASMN1; SMN2HTT
SCHEMBL3866250 0.77 ALDH1A1 (0.35) ALKALDH1A1LMNASMN1; SMN2HTT
SCHEMBL1639716 0.77 CCR1 (0.50) TP53
SCHEMBL2351890 0.75 HTT (0.40) ALDH1A1LMNAHTTPPOXMAPT
SCHEMBL4016337 0.73 CCR1 (0.37) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL4019923 0.73 PPOX (0.45) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL4013750 0.73 CCR1 (0.41) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL3632086 0.73 CCR1 (0.42) ALKLMNAMAPT

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