SCHEMBL7896052

SCHEMBL7896052

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

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
METAP1 P53582 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
Hydrochloric Acid SCHEMBL6869111 0.99 POLB (0.31) POLB
SCHEMBL6861845 0.89
SCHEMBL6861533 0.88
SCHEMBL6871715 0.83
SCHEMBL6861534 0.82 PDE10A (0.30)
SCHEMBL6867667 0.81 LMNA (0.36) METAP1
SCHEMBL6861598 0.80 METAP2 (0.30) METAP1
SCHEMBL6865853 0.80 DYRK3 (0.30)
SCHEMBL6870942 0.80 TLR8 (0.36) POLBMETAP1
SCHEMBL6866284 0.79 KDM4E (0.35) METAP1

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-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