SCHEMBL20008830

SCHEMBL20008830

C=CCCN(CCC)c1cc(-c2cc(C)ccc2C)cc(N2CC(O)C2)n1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.34
BRAF P15056 17/20 0.34
CRHR1 P34998 1/20 0.32

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
SCHEMBL20008457 0.87 L3MBTL1 (0.34) RAF1BRAFCRHR1
SCHEMBL20008319 0.82
SCHEMBL20010275 0.75
SCHEMBL20008335 0.70 RAF1 (0.49) RAF1BRAF
SCHEMBL20008434 0.66 CRHR1 (0.34) CRHR1
SCHEMBL20009455 0.61 TLR8 (0.32)
SCHEMBL22788370 0.59 CNR2 (0.39) CRHR1
SCHEMBL22153071 0.59 GRIN2B (0.35)
SCHEMBL20008460 0.58 RAF1 (0.41) RAF1BRAF
SCHEMBL20008538 0.58 DRD2 (0.49) RAF1

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed