SCHEMBL20008703

SCHEMBL20008703

C=CCCN(CCC)c1cc(-c2cc(NC)ccc2C)cnc1OC

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.35
BRAF P15056 12/20 0.31
RAF1 P04049 11/20 0.31

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
SCHEMBL20008141 0.87 BRAF (0.31) CRHR1BRAF
SCHEMBL20008772 0.86 BRAF (0.31) BRAF
SCHEMBL20008162 0.78 CRHR1 (0.35) CRHR1
SCHEMBL20008752 0.75 CRHR1 (0.33) CRHR1
SCHEMBL20008148 0.74 CRHR1 (0.32) CRHR1
SCHEMBL20008353 0.73 CRHR1 (0.32) CRHR1
SCHEMBL20008333 0.70 RAF1 (0.32) CRHR1BRAFRAF1
SCHEMBL20009120 0.69 FFAR4 (0.39) BRAFRAF1
SCHEMBL20008203 0.66 RAF1 (0.39) CRHR1BRAFRAF1
SCHEMBL20009435 0.65 RAF1 (0.37) BRAFRAF1

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