SCHEMBL3347519

SCHEMBL3347519

C(#Cc1ccn2nccc2n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.46
GRM5 P41594 11/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIN2B Q13224 1/20 0.45

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
SCHEMBL3347789 0.89 GRM5 (0.49) GRM4GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL3346603 0.86 GRM5 (0.41) GRM4GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL3346384 0.86 GRM5 (0.43) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3351686 0.86 GRM5 (0.49) GRM4GRM5DYRK1A
SCHEMBL3345958 0.84 GRM5 (0.52) GRM5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3346805 0.82 DYRK1A (0.43) GRM4GRM5RAB9ADYRK1A
SCHEMBL3347364 0.82 SCN5A (0.39) GRM5DYRK1A
SCHEMBL3346980 0.82 GRM5 (0.49) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3348434 0.82 GRM5 (0.54) GRM5DYRK1A
SCHEMBL3347295 0.82 GRM5 (0.48) GRM5DYRK1A

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