SCHEMBL3246178

SCHEMBL3246178

COc1ccc(CN(Cc2cn(-c3ccc(N4CCOCC4=O)cc3)nc2-c2ccncc2)C(=O)Oc2ccc(Cl)s2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.43
F2 P00734 2/20 0.43
BRAF P15056 1/20 0.38
PTGS2 P35354 1/20 0.36
SSTR5 P35346 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
SCHEMBL3245401 0.93 F10 (0.41) F10F2PTGS2
SCHEMBL3244205 0.90 F10 (0.41) F10F2SSTR5
SCHEMBL3508891 0.90 F10 (0.45) F10F2BRAFPTGS2
SCHEMBL3507730 0.84 F10 (0.45) F10F2SSTR5
SCHEMBL3242238 0.83 F10 (0.39) F10SSTR5
SCHEMBL3506367 0.83 F10 (0.43) F10F2PTGS2
SCHEMBL3508057 0.81 F10 (0.45) F10F2
Hydrochloric Acid SCHEMBL3244696 0.79 F10 (0.45) F10F2PTGS2
SCHEMBL3510539 0.78 F10 (0.45) F10F2
SCHEMBL12311487 0.74 F10 (0.46) F10F2SSTR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029546-B1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2010-07-28 EP disclosed