SCHEMBL3351404

SCHEMBL3351404

C(#Cc1ccc(-c2ccn3nccc3n2)s1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
TGFBR1 P36897 3/20 0.38
GRM5 P41594 7/20 0.37
KCNH2 Q12809 2/20 0.36
SCN5A Q14524 1/20 0.36
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
GLA P06280 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 2/20 0.32
PIK3CD O00329 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
SCHEMBL3347239 0.84 DYRK1A (0.45) DYRK1ATGFBR1GRM5SCN5ANPC1
SCHEMBL3348904 0.83 TGFBR1 (0.46) DYRK1ATGFBR1GRM5SCN5AKDM4E
SCHEMBL3352946 0.81 DYRK1A (0.40) DYRK1ATGFBR1SCN5APIK3CD
SCHEMBL3346215 0.81 DYRK1A (0.38) DYRK1ATGFBR1SCN5A
SCHEMBL3346724 0.80 GRM5 (0.46) DYRK1AGRM5CYP1A2
SCHEMBL3347287 0.80 DYRK1A (0.44) DYRK1ATGFBR1GRM5SCN5AKDM4E
SCHEMBL3347011 0.80 DYRK1A (0.41) DYRK1ATGFBR1GRM5KCNH2SCN5A
SCHEMBL3346984 0.80 DYRK1A (0.41) DYRK1ATGFBR1GRM5SCN5AKDM4E
SCHEMBL3346973 0.80 DYRK1A (0.41) DYRK1ATGFBR1GRM5SCN5A
SCHEMBL3347027 0.79 GRM5 (0.50) DYRK1ATGFBR1GRM5KCNH2CYP1A2

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