SCHEMBL3346476

SCHEMBL3346476

C(#Cc1ccc(-c2ccn3nccc3n2)s1)c1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
CYP2A6 P11509 1/20 0.38
SCN5A Q14524 1/20 0.35
GRM5 P41594 4/20 0.34
TGFBR1 P36897 3/20 0.33
IKBKB O14920 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3347239 0.85 DYRK1A (0.45) DYRK1ASCN5AGRM5TGFBR1
SCHEMBL3347287 0.81 DYRK1A (0.44) DYRK1ASCN5AGRM5TGFBR1TDP1
SCHEMBL3346211 0.81 DYRK1A (0.41) DYRK1ACYP2A6SCN5AGRM5TGFBR1
SCHEMBL3347324 0.79 DYRK1A (0.42) DYRK1ASCN5AGRM5TGFBR1L3MBTL1
SCHEMBL3347271 0.79 DYRK1A (0.42) DYRK1ASCN5AGRM5TGFBR1IKBKB
SCHEMBL3346913 0.79 DYRK1A (0.42) DYRK1ASCN5AGRM5TGFBR1
SCHEMBL3346767 0.78 GRM5 (0.46) DYRK1ACYP2A6SCN5AGRM5TDP1
SCHEMBL3351404 0.77 DYRK1A (0.42) DYRK1ASCN5AGRM5TGFBR1
SCHEMBL3347616 0.77 DYRK1A (0.40) DYRK1ACYP2A6SCN5ATGFBR1
SCHEMBL3346724 0.77 GRM5 (0.46) DYRK1AGRM5

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