SCHEMBL7678516

SCHEMBL7678516

Cc1c(SCCCN2CCN(Cc3ccncc3)CC2)ccnc1CNc1cnc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.42
KDR P35968 5/20 0.40
FLT1 P17948 4/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 1/20 0.36
INSR P06213 1/20 0.36
IGF1R P08069 1/20 0.36
MET P08581 1/20 0.36
CDK2 P24941 1/20 0.36
TEK Q02763 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL7672106 0.87 DRD2 (0.39) KDRMEN1KMT2AEGFRINSR
SCHEMBL7677729 0.86 KDR (0.35) FAAHKDRFLT1EGFRINSR
SCHEMBL7675307 0.83 FLT1 (0.42) KDRFLT1MEN1KMT2A
SCHEMBL7675572 0.83 FLT1 (0.42) KDRFLT1MEN1KMT2A
SCHEMBL7670964 0.82 MEN1 (0.45) KDRFLT1MEN1KMT2A
Hydrochloric Acid SCHEMBL7672407 0.82 MEN1 (0.44) KDRFLT1MEN1KMT2A
SCHEMBL7671243 0.82 MEN1 (0.44) KDRFLT1MEN1KMT2A
SCHEMBL7669698 0.81 FLT1 (0.43) KDRFLT1MEN1KMT2A
SCHEMBL7679446 0.80 MEN1 (0.46) KDRFLT1MEN1KMT2A
SCHEMBL7678998 0.79 MEN1 (0.43) KDRFLT1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479514-B1 FOR THE CONTROL OF HELICOBACTER BACTERIA IN INFECTED PATIENTS ALTANA PHARMA AG (DE) 2002-11-12 US disclosed
EP-1086094-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-03-28 EP disclosed
WO-1999061438-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed