SCHEMBL3346940

SCHEMBL3346940

Cc1cc2nc(CCC#Cc3cccc(Cl)c3)ccn2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.33
MAPK1 P28482 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL3347641 0.89 GRM5 (0.38) GRM5SMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL3345928 0.87 GRM5 (0.36) GRM5NPC1RAB9ASMN1; SMN2CYP2D6
SCHEMBL3345594 0.87 GRM5 (0.40) GRM5MAPK1KDM4EALDH1A1HTT
SCHEMBL3346526 0.83 GRM5 (0.37) GRM5CYP2D6KCNH2
SCHEMBL3347306 0.82 CHRNB2 (0.44) GRM5CYP2D6CYP3A4
SCHEMBL3346926 0.81 GRM5 (0.38) GRM5MAPK1KDM4EALDH1A1HTT
SCHEMBL3346856 0.81 GRM5 (0.52) GRM5NPC1RAB9ASMN1; SMN2CYP2D6
SCHEMBL3348338 0.79 GRM5 (0.43) GRM5NPC1RAB9ASMN1; SMN2CYP2D6
SCHEMBL3347664 0.79 GRM5 (0.37) GRM5MAPK1KDM4EALDH1A1HTT
SCHEMBL3351706 0.78 KDM4E (0.34) GRM5MAPK1KDM4EALDH1A1HTT

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 1 patent. 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 disclosed