SCHEMBL6868481

SCHEMBL6868481

COc1ccc(N2CC(CSCCCSc3ccnc(CNc4nc(C)nc(C)c4Cl)c3C)OC2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.37
SIGMAR1 Q99720 12/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6865939 0.86
SCHEMBL6861748 0.84 GRM2 (0.45) GRM2SIGMAR1
SCHEMBL6871054 0.83 GRM2 (0.46) GRM2SIGMAR1
SCHEMBL6871728 0.75 CCR4 (0.31)
SCHEMBL6869670 0.73
Hydrochloric Acid SCHEMBL6869764 0.73
SCHEMBL6861598 0.73 METAP2 (0.30)
SCHEMBL6865853 0.72 DYRK3 (0.30)
SCHEMBL6870942 0.72 TLR8 (0.36)
SCHEMBL6869528 0.72

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