SCHEMBL3346766

SCHEMBL3346766

Cc1cccc(C#Cc2ccn3nccc3n2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
KMT2A Q03164 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRM1 Q13255 1/20 0.50

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
SCHEMBL3348904 0.81 TGFBR1 (0.46) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3345876 0.80 GRM5 (0.53) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3346384 0.80 GRM5 (0.43) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3346980 0.80 GRM5 (0.49) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3347027 0.79 GRM5 (0.50) GRM5CYP1A2TGFBR1
SCHEMBL3347309 0.79 GRM5 (0.53) GRM5TGFBR1
SCHEMBL3346192 0.79 GRM5 (0.47) GRM5TGFBR1PDE10A
SCHEMBL3347519 0.78 GRM4 (0.46) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2750457 0.77 TGFBR1 (0.51) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3347789 0.76 GRM5 (0.49) GRM5NPC1RAB9ASMN1; SMN2KDM4E

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