SCHEMBL3347047

SCHEMBL3347047

C#Cc1cc2ncccn2n1.c1cc2oc3cc2cc1-3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PDE4D Q08499 1/20 0.32
MAOB P27338 4/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
S1PR1 P21453 1/20 0.32
ALOX5 P09917 1/20 0.32
GRM4 Q14833 1/20 0.31
ADRA2A P08913 3/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
APP P05067 1/20 0.31
TNK2 Q07912 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30

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
Benzene SCHEMBL1991469 0.78 APOBEC3A (0.51) APOBEC3AAPOBEC3GPDGFRBKDR
SCHEMBL3347528 0.77 APOBEC3A (0.42) APOBEC3AAPOBEC3GPDGFRBKDR
SCHEMBL3347037 0.76 APOBEC3A (0.42) APOBEC3AAPOBEC3GKDR
SCHEMBL3346197 0.73 APOBEC3A (0.37) APOBEC3AAPOBEC3G
SCHEMBL3348826 0.73 APOBEC3A (0.41) APOBEC3AAPOBEC3G
SCHEMBL3345963 0.73 APOBEC3A (0.41) APOBEC3AAPOBEC3G
Pyridine SCHEMBL3347792 0.73 APOBEC3A (0.46) APOBEC3AAPOBEC3G
Toluene SCHEMBL9903136 0.72 APOBEC3A (0.43) APOBEC3AAPOBEC3GPDGFRBKDR
SCHEMBL3346983 0.72 APOBEC3A (0.40) APOBEC3AAPOBEC3GPDGFRBKDR
SCHEMBL3346774 0.71 APOBEC3A (0.39) APOBEC3AAPOBEC3G

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
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO claimed
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed