SCHEMBL3346993

SCHEMBL3346993

COCc1cccc(C#Cc2ccn3nccc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.51
FFAR1 O14842 1/20 0.43
KCNH2 Q12809 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
SCHEMBL3346985 0.85 GRM5 (0.42) GRM5FFAR1
SCHEMBL3345830 0.84 FFAR1 (0.40) GRM5FFAR1
SCHEMBL3347573 0.81 GRM5 (0.58) GRM5
SCHEMBL3346980 0.80 GRM5 (0.49) GRM5
SCHEMBL3347261 0.77 GRM5 (0.47) GRM5
SCHEMBL3348434 0.77 GRM5 (0.54) GRM5KCNH2
SCHEMBL3347295 0.77 GRM5 (0.48) GRM5
SCHEMBL3346805 0.77 DYRK1A (0.43) GRM5FFAR1
SCHEMBL3347519 0.76 GRM4 (0.46) GRM5
SCHEMBL3346876 0.75 CYP19A1 (0.42)

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