SCHEMBL7475248

SCHEMBL7475248

Clc1ccc(Nc2nccc(-c3cccs3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PIK3CA P42336 2/20 0.56
PIK3CB P42338 2/20 0.56
PIK3CG P48736 2/20 0.56
SCN9A Q15858 2/20 0.55
CDK2 P24941 2/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 1/20 0.54
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
IKBKB O14920 1/20 0.50
AKT1 P31749 1/20 0.50
KDR P35968 1/20 0.50
PTK2 Q05397 1/20 0.50
EIF2AK2 P19525 1/20 0.49

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
SCHEMBL7471621 0.87 MEN1 (0.59) MEN1KMT2ACDK2KDM4EALDH1A1
SCHEMBL7469184 0.83 SYK (0.54) MEN1KMT2ACDK2KDM4EALDH1A1
SCHEMBL7466134 0.83 MEN1 (0.62) PLK1MEN1KMT2APIK3CAPIK3CB
SCHEMBL7470896 0.81 JAK2 (0.65) PLK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8255815 0.81 MAPK8 (0.66) MEN1KMT2APIK3CGCDK2KDM4E
SCHEMBL3518836 0.81 IKBKB (0.69) MEN1KMT2ACDK2ALDH1A1NPC1
SCHEMBL11924746 0.81 CYP1A2 (0.61) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7475231 0.80 SYK (0.66) MEN1KMT2APIK3CAPIK3CGCDK2
SCHEMBL13924481 0.79 SYK (0.77) PLK1PIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3518694 0.79 CCNT1 (0.54) MEN1KMT2ACDK2ALDH1A1NPC1

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-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed
EP-0233461-B1 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 1996-03-20 EP disclosed