SCHEMBL6865783

SCHEMBL6865783

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.35
METAP2 P50579 3/20 0.35
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
DYRK3 O43781 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK4 Q9NR20 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
LRRK2 Q5S007 1/20 0.33
POLB P06746 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TLR8 Q9NR97 1/20 0.32
CHRM4 P08173 1/20 0.32
KMT2A Q03164 1/20 0.31
GPR39 O43194 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6861471 0.81 ALDH1A1 (0.32) METAP1METAP2LMNADYRK3CLK1
SCHEMBL6861424 0.81 KDM4E (0.32) METAP1METAP2DYRK3CLK1DYRK1A
SCHEMBL6861500 0.80 DYRK3 (0.33) METAP1METAP2LMNADYRK3CLK1
SCHEMBL6861598 0.80 METAP2 (0.30) METAP1METAP2
SCHEMBL6870942 0.79 TLR8 (0.36) METAP1METAP2POLBTLR8
SCHEMBL6865853 0.79 DYRK3 (0.30) DYRK3CLK1DYRK1ADYRK2DYRK4
SCHEMBL6867643 0.78 PDE10A (0.35) METAP1METAP2POLBCHRM4
SCHEMBL6865761 0.78 KDM4E (0.30)
SCHEMBL6867996 0.78 CYP2C9 (0.38) METAP1LMNATSHRHTTPOLB
SCHEMBL6871037 0.77 TLR8 (0.36) METAP1METAP2LMNATSHRHTT

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