SCHEMBL3346778

SCHEMBL3346778

C(#Cc1ccn2nccc2n1)c1ccc2c(c1)CCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.40
DYRK1A Q13627 4/20 0.36
OGA O60502 2/20 0.35
PTAFR P25105 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34
CHRND Q07001 1/20 0.34
GRM5 P41594 2/20 0.34
MAPT P10636 2/20 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
SCHEMBL6797207 0.76 GRM5 (0.52) ACACBGRM5RAB9ASMN1; SMN2NPC1
SCHEMBL3347519 0.73 GRM4 (0.46) DYRK1AGRM5RAB9ASMN1; SMN2NPC1
SCHEMBL3346603 0.72 GRM5 (0.41) DYRK1AOGAGRM5RAB9ASMN1; SMN2
SCHEMBL3351686 0.72 GRM5 (0.49) DYRK1AOGAGRM5
SCHEMBL3346384 0.72 GRM5 (0.43) DYRK1AOGAGRM5RAB9ASMN1; SMN2
SCHEMBL3347789 0.72 GRM5 (0.49) DYRK1AOGAGRM5RAB9ASMN1; SMN2
SCHEMBL3346980 0.72 GRM5 (0.49) GRM5RAB9ASMN1; SMN2NPC1
SCHEMBL3346805 0.72 DYRK1A (0.43) DYRK1AGRM5RAB9APIK3CA
SCHEMBL3348434 0.72 GRM5 (0.54) DYRK1AGRM5
SCHEMBL3347295 0.72 GRM5 (0.48) DYRK1AGRM5

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