SCHEMBL3347547

SCHEMBL3347547

C(#Cc1ccn2nccc2n1)C1=CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.54
CYP1A2 P05177 2/20 0.33
OGA O60502 1/20 0.33
DYRK1A Q13627 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
SCHEMBL3346711 0.82 GRM5 (0.52) GRM5CYP1A2OGADYRK1A
SCHEMBL3347098 0.78 DYRK1A (0.33) GRM5CYP1A2OGADYRK1A
SCHEMBL3346736 0.77 OGA (0.35) GRM5CYP1A2OGADYRK1A
SCHEMBL3350895 0.75 GRM5 (0.36) GRM5CYP1A2OGADYRK1A
SCHEMBL16553452 0.73 DYRK1A (0.44) DYRK1A
SCHEMBL940693 0.71 GRM5 (1.00) GRM5CYP1A2
SCHEMBL3347519 0.70 GRM4 (0.46) GRM5CYP1A2DYRK1A
SCHEMBL3347868 0.70 GRM5 (0.61) GRM5
SCHEMBL3347789 0.69 GRM5 (0.49) GRM5CYP1A2OGADYRK1A
SCHEMBL3347027 0.69 GRM5 (0.50) GRM5CYP1A2DYRK1A

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 1 patent. 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 disclosed