SCHEMBL3346741

SCHEMBL3346741

Fc1cccc(C#CCOc2ccn3nccc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.42
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
GRM5 P41594 9/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
DYRK1A Q13627 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
SCN5A Q14524 1/20 0.32
SLC6A2 P23975 1/20 0.32
MELK Q14680 1/20 0.32

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
SCHEMBL3348895 0.86 CHRM2 (0.40) CHRM2CHRM1GRM5CHRNB2CHRNA4
SCHEMBL3347005 0.86 ALOX5 (0.40) ADORA2BGRM5CHRNB2CHRNA4DYRK1A
SCHEMBL3347130 0.85 CA12 (0.38) CHRM2CHRM1DYRK1ASCN5A
SCHEMBL3344268 0.83 ADORA2B (0.40) ADORA2BCHRM2CHRM1GRM5CHRNB2
SCHEMBL3346158 0.81 CYP2A6 (0.44) GRM5CHRNB2CHRNA4MELK
SCHEMBL3346207 0.80 GRM5 (0.36) ADORA2BCHRM2CHRM1GRM5DYRK1A
SCHEMBL3345871 0.79 CHRM2 (0.35) CHRM2CHRM1GRM5CHRNB2CHRNA4
SCHEMBL3346523 0.78 CYP2A6 (0.35) CHRM2CHRM1GRM5DYRK1ASCN5A
SCHEMBL3348887 0.78 GRM5 (0.38) ADORA2BCHRM2CHRM1GRM5DYRK1A
SCHEMBL3347295 0.76 GRM5 (0.48) GRM5DYRK1ASLC6A2

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