SCHEMBL2353907

SCHEMBL2353907

Cc1c(C(N)=O)c(=O)n(-c2ccccc2)n1C[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 20/20 0.57

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
SCHEMBL377122 0.89 ABCB1 (0.59) ABCB1
SCHEMBL2949349 0.89 ABCB1 (0.59) ABCB1
SCHEMBL377244 0.89 ABCB1 (0.59) ABCB1
SCHEMBL13467902 0.81 ABCB1 (0.48) ABCB1
SCHEMBL13236579 0.81 ABCB1 (0.52) ABCB1
SCHEMBL13236578 0.81 ABCB1 (0.52) ABCB1
SCHEMBL2353865 0.79 ABCB1 (0.47) ABCB1
SCHEMBL13236553 0.77 ABCB1 (0.48) ABCB1
SCHEMBL1719195 0.76 KDM4E (0.62)
SCHEMBL14146432 0.73 ABCB1 (0.43) ABCB1

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
EP-2349328-A1 METHODS FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2011-08-03 EP claimed
EP-2349328-A1 METHODS FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2011-08-03 EP disclosed
WO-2009140549-A1 COMBINATIONS VEGF(R) INHIBITORS AND HEPATOCYTE GROWTH FACTOR (C-MET) INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2009-11-19 WO disclosed