SCHEMBL3347231

SCHEMBL3347231

Cc1cc2nc(CCC#Cc3cccs3)ccn2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PIN1 Q13526 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
SCHEMBL3345855 0.82 KDM4E (0.33) ALDH1A1L3MBTL1KDM4EMAPK1HTT
SCHEMBL3347609 0.81 GRM5 (0.33) GRM5
SCHEMBL3345928 0.81 GRM5 (0.36) GRM5ALDH1A1L3MBTL1KDM4EMAPK1
SCHEMBL3345927 0.80 GRM5 (0.36) GRM5CYP1A2CYP2D6
SCHEMBL3347664 0.80 GRM5 (0.37) GRM5ALDH1A1L3MBTL1KDM4EMAPK1
SCHEMBL3346856 0.79 GRM5 (0.52) GRM5ALDH1A1L3MBTL1KDM4EMAPK1
SCHEMBL3351706 0.79 KDM4E (0.34) GRM5ALDH1A1L3MBTL1KDM4EMAPK1
SCHEMBL3346517 0.79 GRM5 (0.34) GRM5ALDH1A1L3MBTL1KDM4EMAPK1
SCHEMBL3347641 0.78 GRM5 (0.38) GRM5ALDH1A1L3MBTL1KDM4EMAPK1
SCHEMBL3347055 0.77 GRM5 (0.51) GRM5ALDH1A1L3MBTL1KDM4EMAPK1

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