SCHEMBL20008499

SCHEMBL20008499

CCCNc1cc(-c2cc(C)cnc2C)cc(N2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.51
BRAF P15056 17/20 0.51
PIK3R1 P27986 1/20 0.48
ALDH1A1 P00352 1/20 0.45
NPY1R P25929 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL16095240 0.80 RAF1 (0.59) RAF1BRAFALDH1A1
SCHEMBL20008620 0.75 RAF1 (0.54) RAF1BRAF
SCHEMBL25594314 0.73 RAF1 (0.63) RAF1BRAF
SCHEMBL20008328 0.72 CNR2 (0.48) RAF1BRAFALDH1A1
SCHEMBL23299892 0.70 ALDH1A1 (0.64) RAF1BRAFALDH1A1
SCHEMBL17322817 0.70 PIK3R1 (0.75) RAF1BRAFPIK3R1ALDH1A1
SCHEMBL26783363 0.69 RAF1 (0.58) RAF1BRAF
SCHEMBL25594308 0.69 RAF1 (0.53) RAF1BRAFALDH1A1
SCHEMBL23299910 0.69 NPY1R (0.51) ALDH1A1NPY1RKCNH2
SCHEMBL17322800 0.68 PIK3R1 (0.72) RAF1BRAFPIK3R1ALDH1A1

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