SCHEMBL3346833

SCHEMBL3346833

Clc1ccccc1C#Cc1ccn2nccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.50
KCNH2 Q12809 1/20 0.36
DYRK1A Q13627 1/20 0.36
OGA O60502 1/20 0.33
SCN5A Q14524 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
KCNN3 Q9UGI6 1/20 0.31
KIT P10721 1/20 0.31
FFAR1 O14842 1/20 0.31
TGFBR1 P36897 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3347208 0.82 DYRK1A (0.36) GRM5DYRK1AOGASCN5ATGFBR1
SCHEMBL3346192 0.82 GRM5 (0.47) GRM5DYRK1AOGASCN5AKIT
SCHEMBL3345917 0.82 GRM5 (0.44) GRM5DYRK1AOGASCN5ATGFBR1
SCHEMBL3346819 0.79 SCN5A (0.39) GRM5DYRK1AOGASCN5APTGDR2
SCHEMBL3347519 0.78 GRM4 (0.46) GRM5DYRK1AALDH1A1CYP1A2CYP3A4
SCHEMBL3351686 0.78 GRM5 (0.49) GRM5KCNH2DYRK1AOGASCN5A
SCHEMBL3348828 0.77 TGFBR1 (0.39) GRM5DYRK1AOGASCN5ATGFBR1
SCHEMBL3347027 0.77 GRM5 (0.50) GRM5KCNH2DYRK1ATGFBR1CYP1A2
SCHEMBL3347011 0.77 DYRK1A (0.41) GRM5KCNH2DYRK1ASCN5ATGFBR1
SCHEMBL3351121 0.76 GRM5 (0.34) GRM5DYRK1AKCNN3

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