SCHEMBL6861471

SCHEMBL6861471

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
DYRK3 O43781 1/20 0.32
CLK1 P49759 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK4 Q9NR20 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
CYP2C9 P11712 2/20 0.31
KMT2A Q03164 2/20 0.31
DDAH1 O94760 1/20 0.31
LMNA P02545 1/20 0.31
HTR1A P08908 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MAPT P10636 1/20 0.31
IDE P14735 1/20 0.31
ADRA2B P18089 1/20 0.31
TBXA2R P21731 1/20 0.31
ACHE P22303 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
SCHEMBL6861500 0.97 DYRK3 (0.33) ALDH1A1HPGDKDM4EDYRK3CLK1
SCHEMBL6861424 0.95 KDM4E (0.32) ALDH1A1HPGDKDM4EDYRK3CLK1
SCHEMBL6865761 0.91 KDM4E (0.30) ALDH1A1HPGDKDM4E
SCHEMBL6870015 0.85 ALDH1A1 (0.43) ALDH1A1HPGDCYP2C9KMT2ALMNA
SCHEMBL6869856 0.85
SCHEMBL6869916 0.83 HPGD (0.32) HPGDLMNAPDE10A
SCHEMBL6866255 0.82 METAP1 (0.43) METAP2METAP1
SCHEMBL7044854 0.82 HPGD (0.32) HPGDLMNAPDE10A
SCHEMBL6861630 0.82 PDE10A (0.32) HPGDCYP2C9LMNAPDE10A
SCHEMBL6865783 0.81 METAP1 (0.35) DYRK3CLK1DYRK1ADYRK2DYRK4

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 5 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
CN-1302297-A Pyrimidin-aminomethyl-pyridine derivatives, their preparation and their use in control of helicobacter bacteria BYK GULDEN LOMBERG CHEM FAB (DE) 2001-07-04 CN 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