SCHEMBL25975665

SCHEMBL25975665

Cc1ccc(NC(=O)N2CCCC2)cc1-c1cc(N2CC3CCC(C2)O3)c2nccn2c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.52
BRAF P15056 14/20 0.52
ABL1 P00519 3/20 0.46
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL25341190 0.87 RAF1 (0.56) RAF1BRAF
SCHEMBL26346268 0.84 RAF1 (0.50) RAF1BRAF
SCHEMBL26342366 0.79 RAF1 (0.66) RAF1BRAF
SCHEMBL26342390 0.79 RAF1 (0.66) RAF1BRAF
SCHEMBL26342413 0.79 RAF1 (0.62) RAF1BRAF
SCHEMBL26342291 0.77 RAF1 (0.63) RAF1BRAF
SCHEMBL26342452 0.76 RAF1 (0.64) RAF1BRAF
SCHEMBL26342311 0.76 RAF1 (0.62) RAF1BRAF
SCHEMBL26342114 0.76 RAF1 (0.60) RAF1BRAF
SCHEMBL26342229 0.73 RAF1 (0.59) 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
WO-2023150681-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2023-08-10 WO disclosed