SCHEMBL5604333

SCHEMBL5604333

Cc1ccc(Nc2cc(F)cc(N3CC4CCC(C3)O4)c2)cc1-c1cc(C(=O)NCC(C)(C)C)on1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.38
BRAF P15056 6/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
KLKB1 P03952 1/20 0.33
MAPK14 Q16539 1/20 0.33
ACKR3 P25106 5/20 0.32
USP30 Q70CQ3 1/20 0.32
CSGALNACT1 Q8TDX6 1/20 0.32
SETD2 Q9BYW2 2/20 0.32
NSD2 O96028 1/20 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
SCHEMBL4418742 0.90 RAF1 (0.45) RAF1BRAFMAPK14
SCHEMBL4551600 0.88 RAF1 (0.39) RAF1BRAFRAB9ANPC1MAPK14
SCHEMBL4551892 0.85 RAF1 (0.44) RAF1BRAFMAPK14
SCHEMBL4552281 0.81 RAF1 (0.45) RAF1BRAFMAPK14
SCHEMBL4416244 0.81 RAF1 (0.44) RAF1BRAFMAPK14
SCHEMBL4551200 0.80 CSGALNACT1 (0.44) RAF1BRAFRAB9ANPC1CSGALNACT1
SCHEMBL4552240 0.79 RAF1 (0.50) RAF1BRAF
SCHEMBL5593431 0.78 RAF1 (0.49) RAF1BRAFMAPK14
SCHEMBL5603875 0.77 NAMPT (0.41) RAB9ANPC1
SCHEMBL4551601 0.77 RAF1 (0.48) RAF1BRAFMAPK14

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
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed