SCHEMBL3347174

SCHEMBL3347174

Cc1cc2nc(OCC#Cc3ccccc3C)ccn2n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
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
GRM5 P41594 8/20 0.32
FFAR1 O14842 1/20 0.30

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
SCHEMBL3347334 0.89 GRM5 (0.37) KDM4EALDH1A1MAPK1HTTL3MBTL1
SCHEMBL3345574 0.89 GRM5 (0.34) KDM4EALDH1A1MAPK1HTTL3MBTL1
SCHEMBL3345895 0.86 CA12 (0.35) ALOX5KDM4EALDH1A1MAPK1HTT
SCHEMBL3346516 0.83 ALOX5 (0.37) ALOX5GRM5FFAR1
SCHEMBL3347237 0.83 GRM5 (0.46) ALOX5GRM5
SCHEMBL3345981 0.81 GRM5 (0.52) GRM5
SCHEMBL3346728 0.81 GRM5 (0.38) ALOX5KDM4EALDH1A1MAPK1HTT
SCHEMBL3346740 0.80 KDM4E (0.32) KDM4EALDH1A1MAPK1HTTL3MBTL1
SCHEMBL3346517 0.80 GRM5 (0.34) KDM4EALDH1A1MAPK1HTTL3MBTL1
SCHEMBL3347189 0.79 GRM5 (0.34) KDM4EALDH1A1MAPK1HTTL3MBTL1

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