SCHEMBL3346835

SCHEMBL3346835

FC(F)(F)c1cccc(C#Cc2ccn3nccc3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.50
PDGFRB P09619 2/20 0.42
KDR P35968 2/20 0.42
DDR1 Q08345 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FFAR1 O14842 1/20 0.38
PTPN1 P18031 1/20 0.38
TGFBR1 P36897 1/20 0.37
SCN5A Q14524 1/20 0.37
KCNN3 Q9UGI6 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL3347364 0.85 SCN5A (0.39) GRM5PDGFRBKDRDDR1TGFBR1
SCHEMBL3347295 0.83 GRM5 (0.48) GRM5
SCHEMBL3348434 0.80 GRM5 (0.54) GRM5
SCHEMBL3347261 0.80 GRM5 (0.47) GRM5
SCHEMBL3346805 0.80 DYRK1A (0.43) GRM5FFAR1
SCHEMBL3346980 0.80 GRM5 (0.49) GRM5PDGFRBKDRKDM4EALDH1A1
SCHEMBL3347519 0.79 GRM4 (0.46) GRM5KDM4EALDH1A1
SCHEMBL3347573 0.77 GRM5 (0.58) GRM5
SCHEMBL3351351 0.77 FFAR1 (0.39) GRM5PDGFRBKDRALDH1A1FFAR1
SCHEMBL3345830 0.77 FFAR1 (0.40) GRM5PDGFRBKDRFFAR1

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