SCHEMBL3351413

SCHEMBL3351413

C#Cc1ccsc1-c1ccn2nccc2n1.c1cc2ncc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.40
SCN5A Q14524 1/20 0.39
PIK3CD O00329 1/20 0.38
TGFBR1 P36897 3/20 0.34
USP30 Q70CQ3 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
JAK2 O60674 1/20 0.31
RET P07949 1/20 0.31
KDR P35968 1/20 0.31
GSK3A P49840 1/20 0.31
RPS6KA3 P51812 1/20 0.31
LIMK1 P53667 1/20 0.31
MAP2K1 Q02750 1/20 0.31
MAPK14 Q16539 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
ALK Q9UM73 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
SCHEMBL3346218 0.86 DYRK1A (0.42) DYRK1ASCN5APIK3CDTGFBR1USP30
SCHEMBL3347243 0.86 DYRK1A (0.44) DYRK1ASCN5APIK3CDTGFBR1MAPT
SCHEMBL3347294 0.85 DYRK1A (0.42) DYRK1ASCN5ATGFBR1MAPTKMT2A
SCHEMBL3346482 0.84 DYRK1A (0.45) DYRK1ASCN5APIK3CDTGFBR1MAPT
SCHEMBL3346918 0.83 DYRK1A (0.41) DYRK1ASCN5APIK3CDTGFBR1MAPT
SCHEMBL3346989 0.83 DYRK1A (0.39) DYRK1ASCN5APIK3CDTGFBR1ALDH1A1
SCHEMBL3353764 0.78 EGLN1 (0.31)
SCHEMBL3347657 0.74 CCNE1 (0.33)
SCHEMBL2202069 0.68 DYRK1A (0.49) DYRK1ASCN5APIK3CDTGFBR1KDR
Hydrochloric Acid SCHEMBL5121050 0.67 BRD4 (0.34)

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