SCHEMBL3346754

SCHEMBL3346754

Brc1cncc(C#Cc2ccn3nccc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.45
DYRK1A Q13627 1/20 0.36
OGA O60502 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
SCHEMBL3346877 0.82 GRM5 (0.52) GRM5DYRK1A
SCHEMBL3346505 0.82 GRM5 (0.55) GRM5DYRK1A
SCHEMBL3346202 0.81 GRM5 (0.57) GRM5
SCHEMBL3345958 0.81 GRM5 (0.52) GRM5
SCHEMBL3347563 0.81 GRM5 (0.36) GRM5DYRK1A
SCHEMBL3347789 0.79 GRM5 (0.49) GRM5DYRK1AOGA
SCHEMBL3347519 0.77 GRM4 (0.46) GRM5DYRK1A
SCHEMBL3346432 0.77 GRM5 (0.41) GRM5OGA
SCHEMBL3346384 0.73 GRM5 (0.43) GRM5DYRK1AOGA
SCHEMBL3346603 0.73 GRM5 (0.41) GRM5DYRK1AOGA

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