SCHEMBL3346728

SCHEMBL3346728

Cc1cccc(C#CCOc2ccn3nc(C)cc3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.38
ALOX5 P09917 1/20 0.37
FFAR1 O14842 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3345895 0.90 CA12 (0.35) GRM5ALOX5KDM4EALDH1A1MAPK1
SCHEMBL3344268 0.89 ADORA2B (0.40) GRM5CHRNB2CHRNA4
SCHEMBL3348338 0.89 GRM5 (0.43) GRM5CHRNB2CHRNA4
SCHEMBL3347005 0.85 ALOX5 (0.40) GRM5ALOX5FFAR1EGLN1CHRNB2
SCHEMBL3347152 0.84 CHRNB2 (0.41) GRM5CHRNB2CHRNA4
SCHEMBL3345981 0.83 GRM5 (0.52) GRM5
SCHEMBL3348419 0.81 GRM5 (0.36) GRM5KDM4EALDH1A1MAPK1HTT
SCHEMBL3347174 0.81 ALOX5 (0.36) GRM5ALOX5FFAR1KDM4EALDH1A1
SCHEMBL3347237 0.80 GRM5 (0.46) GRM5ALOX5
SCHEMBL3345574 0.79 GRM5 (0.34) GRM5KDRCHRNB2CHRNA4KDM4E

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