SCHEMBL3346432

SCHEMBL3346432

COC(=O)c1cncc(C#Cc2ccn3nccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.41
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.39
OGA O60502 1/20 0.39
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CYP19A1 P11511 1/20 0.37
KIT P10721 2/20 0.35
DDR1 Q08345 2/20 0.35
FGFR2 P21802 1/20 0.35
HTT P42858 1/20 0.35
PIK3CD O00329 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL3346202 0.81 GRM5 (0.57) GRM5PIK3CD
SCHEMBL3346754 0.77 GRM5 (0.45) GRM5OGA
SCHEMBL3714223 0.75 ALDH1A1 (0.62) GRM5ATMALDH1A1CYP11B1CYP11B2
SCHEMBL3346877 0.75 GRM5 (0.52) GRM5
SCHEMBL3346505 0.75 GRM5 (0.55) GRM5ALDH1A1
SCHEMBL1477039 0.74 MAPT (0.55) GRM5ATMALDH1A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL1477229 0.73 MAPT (0.54) GRM5ATMALDH1A1CYP11B1CYP11B2
SCHEMBL3345958 0.73 GRM5 (0.52) GRM5
SCHEMBL25047246 0.73 ATM (0.46) GRM5ATMALDH1A1CYP11B1CYP11B2
SCHEMBL3347498 0.73 GRM5 (0.41) GRM5PIK3CD

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