Sugi Predict

Sugi Predict / Compounds / SCHEMBL3347295

SCHEMBL3347295

SCHEMBL3347295

Fc1cccc(C#Cc2ccn3nccc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 14/20 0.48
▸ SLC6A2 P23975 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38

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
SCHEMBL3346603 0.84 GRM5 (0.41) GRM5DYRK1A
SCHEMBL3348434 0.83 GRM5 (0.54) GRM5DYRK1A
SCHEMBL3346805 0.83 DYRK1A (0.43) GRM5DYRK1A
SCHEMBL3347261 0.83 GRM5 (0.47) GRM5
SCHEMBL3346980 0.83 GRM5 (0.49) GRM5
SCHEMBL3347563 0.83 GRM5 (0.36) GRM5DYRK1A
SCHEMBL3346835 0.83 GRM5 (0.50) GRM5
SCHEMBL3347519 0.82 GRM4 (0.46) GRM5DYRK1A
SCHEMBL3345830 0.80 FFAR1 (0.40) GRM5DYRK1A
SCHEMBL3351351 0.80 FFAR1 (0.39) GRM5DYRK1A

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