SCHEMBL3346980

SCHEMBL3346980

Cc1cccc(C#Cc2ccn3nccc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.49
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3346384 0.84 GRM5 (0.43) GRM5PDGFRBKDRNPC1RAB9A
SCHEMBL3347295 0.83 GRM5 (0.48) GRM5
SCHEMBL3347261 0.83 GRM5 (0.47) GRM5
SCHEMBL3348434 0.83 GRM5 (0.54) GRM5
SCHEMBL3346805 0.83 DYRK1A (0.43) GRM5RAB9A
SCHEMBL3347573 0.83 GRM5 (0.58) GRM5
SCHEMBL3347519 0.82 GRM4 (0.46) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3351351 0.80 FFAR1 (0.39) GRM5PDGFRBKDRALDH1A1
SCHEMBL3345830 0.80 FFAR1 (0.40) GRM5PDGFRBKDRCYP3A4
SCHEMBL3346835 0.80 GRM5 (0.50) GRM5PDGFRBKDRKDM4EALDH1A1

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