SCHEMBL3347239

SCHEMBL3347239

C(#Cc1ccc(-c2ccn3nccc3n2)s1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
SCN5A Q14524 1/20 0.38
TGFBR1 P36897 3/20 0.35
GRM5 P41594 6/20 0.32
APP P05067 1/20 0.32
NPC1 O15118 1/20 0.31
ALOX12 P18054 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CD O00329 1/20 0.31
GRM4 Q14833 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
SCHEMBL3346211 0.88 DYRK1A (0.41) DYRK1ASCN5ATGFBR1GRM5
SCHEMBL3347324 0.86 DYRK1A (0.42) DYRK1ASCN5ATGFBR1GRM5
SCHEMBL3347271 0.86 DYRK1A (0.42) DYRK1ASCN5ATGFBR1GRM5
SCHEMBL3346913 0.86 DYRK1A (0.42) DYRK1ASCN5ATGFBR1GRM5PIK3CD
SCHEMBL3346476 0.85 DYRK1A (0.41) DYRK1ASCN5ATGFBR1GRM5
SCHEMBL3351404 0.84 DYRK1A (0.42) DYRK1ASCN5ATGFBR1GRM5NPC1
SCHEMBL3347287 0.83 DYRK1A (0.44) DYRK1ASCN5ATGFBR1GRM5RAB9A
SCHEMBL3347011 0.83 DYRK1A (0.41) DYRK1ASCN5ATGFBR1GRM5
SCHEMBL3346973 0.83 DYRK1A (0.41) DYRK1ASCN5ATGFBR1GRM5
SCHEMBL3346984 0.83 DYRK1A (0.41) DYRK1ASCN5ATGFBR1GRM5NPC1

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