SCHEMBL3351351

SCHEMBL3351351

O=Cc1cccc(C#Cc2ccn3nccc3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
DYRK1A Q13627 1/20 0.35
OGA O60502 1/20 0.33
GRM5 P41594 2/20 0.33
ERN1 O75460 1/20 0.32
PDGFRB P09619 2/20 0.32
KDR P35968 2/20 0.32
FGFR2 P21802 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3346805 0.80 DYRK1A (0.43) FFAR1DYRK1AGRM5
SCHEMBL3347261 0.80 GRM5 (0.47) GRM5
SCHEMBL3346980 0.80 GRM5 (0.49) GRM5PDGFRBKDRALDH1A1
SCHEMBL3347295 0.80 GRM5 (0.48) DYRK1AGRM5
SCHEMBL3348434 0.80 GRM5 (0.54) DYRK1AGRM5
SCHEMBL3347519 0.79 GRM4 (0.46) DYRK1AGRM5ALDH1A1
SCHEMBL3347573 0.77 GRM5 (0.58) GRM5
SCHEMBL3346835 0.77 GRM5 (0.50) FFAR1GRM5PDGFRBKDRALDH1A1
SCHEMBL3345830 0.77 FFAR1 (0.40) FFAR1DYRK1AOGAGRM5PDGFRB
SCHEMBL3346995 0.75 GRM5 (0.56) OGAGRM5PDGFRBKDRALDH1A1

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