SCHEMBL3347005

SCHEMBL3347005

Cc1cccc(C#CCOc2ccn3nccc3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
GRM5 P41594 8/20 0.36
FFAR1 O14842 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TGFBR1 P36897 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
ADORA2B P29275 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
SCHEMBL3346741 0.86 ADORA2B (0.42) GRM5EGLN1CHRNB2CHRNA4ADORA2B
SCHEMBL3348895 0.86 CHRM2 (0.40) GRM5EGLN1CHRNB2CHRNA4DYRK1A
SCHEMBL3347130 0.85 CA12 (0.38) ALOX5DYRK1A
SCHEMBL3346728 0.85 GRM5 (0.38) ALOX5GRM5FFAR1HTTEGLN1
SCHEMBL3346158 0.81 CYP2A6 (0.44) GRM5CHRNB2CHRNA4
SCHEMBL3347309 0.80 GRM5 (0.53) GRM5TGFBR1
SCHEMBL3346516 0.79 ALOX5 (0.37) ALOX5GRM5FFAR1TGFBR1DYRK1A
SCHEMBL3346840 0.78 GRM5 (0.36) GRM5FFAR1HTTSMN1; SMN2TGFBR1
SCHEMBL3346523 0.78 CYP2A6 (0.35) GRM5DYRK1A
SCHEMBL3346980 0.76 GRM5 (0.49) GRM5SMN1; SMN2

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