SCHEMBL3346985

SCHEMBL3346985

CC(=O)OCc1cccc(C#Cc2ccn3nccc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
OGA O60502 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FFAR1 O14842 1/20 0.37
IDH1 O75874 1/20 0.35
CYP3A4 P08684 1/20 0.35
PRKDC P78527 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL3346993 0.85 GRM5 (0.51) GRM5FFAR1
SCHEMBL3345830 0.82 FFAR1 (0.40) GRM5OGAFFAR1CYP3A4PDGFRB
SCHEMBL4713709 0.78 GRM5 (0.66) GRM5ALDH1A1CYP3A4
SCHEMBL3346995 0.77 GRM5 (0.56) GRM5OGAALDH1A1PDGFRBKDR
SCHEMBL3346980 0.75 GRM5 (0.49) GRM5ALDH1A1CYP3A4PDGFRBKDR
SCHEMBL3347573 0.75 GRM5 (0.58) GRM5
SCHEMBL3346401 0.74 ALDH1A1 (0.50) GRM5ALDH1A1FFAR1IDH1CYP3A4
SCHEMBL3346805 0.73 DYRK1A (0.43) GRM5FFAR1
SCHEMBL3347261 0.73 GRM5 (0.47) GRM5
SCHEMBL3351351 0.72 FFAR1 (0.39) GRM5OGAALDH1A1FFAR1PDGFRB

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