SCHEMBL6861628

SCHEMBL6861628

Cc1nc(C)c(Cl)c(NCc2nccc(SCCCCN3CCNCC3)c2C)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 17/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
METAP2 P50579 9/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6861877 0.97 CYP1A2 (0.44) METAP1CYP1A2CYP2D6METAP2LMNA
SCHEMBL6866116 0.87 METAP1 (0.33) METAP1CYP2D6LMNAKDM4EALDH1A1
SCHEMBL6865853 0.84 DYRK3 (0.30)
SCHEMBL6866255 0.84 METAP1 (0.43) METAP1METAP2
Hydrochloric Acid SCHEMBL6861864 0.84 KDM4E (0.32) METAP1CYP2D6LMNAKDM4EALDH1A1
SCHEMBL6861598 0.83 METAP2 (0.30) METAP1METAP2
SCHEMBL6867898 0.82 METAP2 (0.31) METAP1METAP2
SCHEMBL6870942 0.82 TLR8 (0.36) METAP1METAP2
SCHEMBL6869528 0.80
SCHEMBL6869698 0.80 CYP2D6 (0.44) METAP1CYP1A2CYP2D6METAP2LMNA

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