SCHEMBL20009412

SCHEMBL20009412

Cc1ccc(C)c(-c2cc(N3CCC3)nc(N3CC(C)(C)C3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.40
BRAF P15056 13/20 0.40
AR P10275 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 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
SCHEMBL20008122 0.77 SMN1; SMN2 (0.46) RAF1BRAFKDM4EGAAL3MBTL1
SCHEMBL20008452 0.75 GALR2 (0.44) KDM4EGAAL3MBTL1MAPK1ATM
SCHEMBL20010376 0.74 AR (0.53) RAF1BRAFARKDM4EGAA
SCHEMBL20008538 0.72 DRD2 (0.49) RAF1ARKDM4EGAAL3MBTL1
SCHEMBL20008460 0.72 RAF1 (0.41) RAF1BRAFARKDM4EGAA
SCHEMBL20008237 0.71 HRH4 (0.47) RAF1BRAFCNR2
SCHEMBL19529392 0.71 RAF1 (0.40) RAF1BRAFARKDM4EGAA
SCHEMBL20009430 0.70 RAF1 (0.49) RAF1BRAFARKDM4EGAA
SCHEMBL20010344 0.68 NUDT1 (0.51) RAF1BRAFKDM4EGAAKMT2A
SCHEMBL20009114 0.66 BRAF (0.57) RAF1BRAFAR

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