SCHEMBL6866232

SCHEMBL6866232

Cc1nc(C)c(Cl)c(NCc2nccc(OCCCCSCc3ccccn3)c2C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
PDE10A Q9Y233 8/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
JAK2 O60674 1/20 0.32
IGF1R P08069 1/20 0.32
PIM1 P11309 1/20 0.32
SRC P12931 1/20 0.32
CSNK2A2 P19784 1/20 0.32
KCNA5 P22460 1/20 0.32
JAK1 P23458 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
TYK2 P29597 1/20 0.32
FLT4 P35916 1/20 0.32

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
SCHEMBL7044854 0.86 HPGD (0.32) HTTLMNAPDE10A
SCHEMBL6866246 0.85 LMNA (0.37) KCNH2HTTLMNATSHRPDE10A
SCHEMBL6865786 0.84 NMT2 (0.36) PDE10APGK1SCN8AKDM4EALDH1A1
SCHEMBL6870015 0.84 ALDH1A1 (0.43) HTTLMNATSHRMEN1KMT2A
SCHEMBL6869856 0.84
SCHEMBL6869916 0.83 HPGD (0.32) HTTLMNAPDE10A
SCHEMBL6867667 0.83 LMNA (0.36) KCNH2HTTLMNATSHRPDE10A
SCHEMBL6861500 0.82 DYRK3 (0.33) KCNH2LMNAKMT2AMETAP2METAP1
SCHEMBL6861471 0.81 ALDH1A1 (0.32) KCNH2LMNAPDE10AKMT2AMETAP2
SCHEMBL6861630 0.80 PDE10A (0.32) HTTLMNAPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091957-B1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA ALTANA PHARMA AG (DE) 2004-12-15 EP disclosed
US-6395732-B1 BACTERICIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-05-28 US disclosed
EP-1091957-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-04-18 EP disclosed
WO-1999061439-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed