SCHEMBL3346973

SCHEMBL3346973

Fc1ccccc1C#Cc1ccc(-c2ccn3nccc3n2)s1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
TGFBR1 P36897 3/20 0.38
SCN5A Q14524 1/20 0.38
GRM5 P41594 4/20 0.36
IKBKB O14920 1/20 0.32
USP30 Q70CQ3 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
SCHEMBL3347011 0.86 DYRK1A (0.41) DYRK1ATGFBR1SCN5AGRM5IKBKB
SCHEMBL3346984 0.86 DYRK1A (0.41) DYRK1ATGFBR1SCN5AGRM5IKBKB
SCHEMBL3347239 0.83 DYRK1A (0.45) DYRK1ATGFBR1SCN5AGRM5
SCHEMBL3351404 0.80 DYRK1A (0.42) DYRK1ATGFBR1SCN5AGRM5
SCHEMBL3347271 0.79 DYRK1A (0.42) DYRK1ATGFBR1SCN5AGRM5IKBKB
SCHEMBL3347287 0.79 DYRK1A (0.44) DYRK1ATGFBR1SCN5AGRM5
SCHEMBL3345917 0.77 GRM5 (0.44) DYRK1ATGFBR1SCN5AGRM5
SCHEMBL3346211 0.76 DYRK1A (0.41) DYRK1ATGFBR1SCN5AGRM5
SCHEMBL3346476 0.76 DYRK1A (0.41) DYRK1ATGFBR1SCN5AGRM5IKBKB
SCHEMBL3352946 0.75 DYRK1A (0.40) DYRK1ATGFBR1SCN5A

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 1 patent. 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 disclosed