SCHEMBL3345830

SCHEMBL3345830

OCc1cccc(C#Cc2ccn3nccc3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
GRM5 P41594 1/20 0.38
DYRK1A Q13627 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
OGA O60502 1/20 0.35
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CYP3A4 P08684 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 0.84 GRM5 (0.51) FFAR1GRM5
SCHEMBL3346985 0.82 GRM5 (0.42) FFAR1GRM5OGAPDGFRBKDR
SCHEMBL3346805 0.80 DYRK1A (0.43) FFAR1GRM5DYRK1AHCRTR1
SCHEMBL3346980 0.80 GRM5 (0.49) GRM5PDGFRBKDRCYP3A4
SCHEMBL3348434 0.80 GRM5 (0.54) GRM5DYRK1A
SCHEMBL3347295 0.80 GRM5 (0.48) GRM5DYRK1A
SCHEMBL3347261 0.80 GRM5 (0.47) GRM5
SCHEMBL3347519 0.79 GRM4 (0.46) GRM5DYRK1ACYP3A4
SCHEMBL3346876 0.78 CYP19A1 (0.42) CYP11B1CYP11B2
SCHEMBL3351351 0.77 FFAR1 (0.39) FFAR1GRM5DYRK1AOGAPDGFRB

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