SCHEMBL20009217

SCHEMBL20009217

C=C(Nc1ccc(C)c(C(=N)/C=C\C)c1)c1ccnc(C(C)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.39
BRAF P15056 15/20 0.39
BTK Q06187 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL20009716 0.77 RAF1 (0.41) RAF1BRAF
SCHEMBL20009418 0.77 RAF1 (0.43) RAF1BRAF
SCHEMBL20008343 0.76 RAF1 (0.38) RAF1BRAFBTK
SCHEMBL20008419 0.76 RAF1 (0.39) RAF1BRAF
SCHEMBL20008367 0.74 RAF1 (0.41) RAF1BRAF
SCHEMBL20008574 0.73 RAF1 (0.32) RAF1BRAFBTK
SCHEMBL20008355 0.72 IDO1 (0.32)
SCHEMBL20009609 0.71 BTK (0.32) BRAFBTK
SCHEMBL20009314 0.71 RAF1 (0.39) RAF1BRAF
SCHEMBL20008376 0.71 RAF1 (0.42) RAF1BRAF

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