SCHEMBL3629430

SCHEMBL3629430

FC(F)(F)c1cccc(-c2cc(NCCCn3ccnc3)nc(-c3ccccn3)n2)c1.c1ccc(-c2cc(NCCCn3ccnc3)nc(-c3ccccn3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.47
KCNH2 Q12809 1/20 0.47
NAMPT P43490 1/20 0.46
MAPK1 P28482 3/20 0.45
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
QPCT Q16769 2/20 0.44
KDM4E B2RXH2 4/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
SYK P43405 1/20 0.41
SOD1 P00441 1/20 0.41
LMNA P02545 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR1D P28221 1/20 0.41

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
SCHEMBL3631375 0.98 CTSK (0.48) CTSKKCNH2NAMPTMAPK1ITGB2
SCHEMBL3633387 0.91 GSK3A (0.53) CTSKKCNH2MAPK1ITGB2ICAM1
SCHEMBL3633096 0.90 NAMPT (0.53) NAMPTGSK3AGSK3BQPCTKDM4E
SCHEMBL3632700 0.87 GSK3A (0.48) CTSKKCNH2NAMPTMAPK1ITGB2
SCHEMBL3630804 0.85 KDM4E (0.50) NAMPTITGB2ICAM1ITGALGSK3A
SCHEMBL3632000 0.85 SMN1; SMN2 (0.54) CTSKKCNH2NAMPTMAPK1ITGB2
SCHEMBL3630627 0.85 QPCT (0.56) NAMPTGSK3AGSK3BQPCTKDM4E
SCHEMBL3633391 0.85 GSK3A (0.54) NAMPTMAPK1ITGB2ICAM1ITGAL
SCHEMBL3631542 0.84 KDM4E (0.49) CTSKKCNH2MAPK1ITGB2ICAM1
SCHEMBL3627894 0.83 SOD1 (0.52) NAMPTGSK3AGSK3BQPCTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142536-A1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP disclosed
WO-2008128984-A1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed