SCHEMBL546174

SCHEMBL546174

CC(C)(C)N(Cc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(-c5ncc(C(F)(F)F)[nH]5)c4)cc3C2)cc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 20/20 0.62
BRAF P15056 13/20 0.62

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
SCHEMBL545341 0.88 RAF1 (0.73) RAF1BRAF
SCHEMBL545889 0.88 BRAF (0.63) RAF1BRAF
SCHEMBL545402 0.88 RAF1 (0.61) RAF1BRAF
SCHEMBL10200944 0.87 RAF1 (0.60) RAF1BRAF
SCHEMBL546138 0.86 BRAF (0.62) RAF1BRAF
SCHEMBL545326 0.86 BRAF (0.83) RAF1BRAF
SCHEMBL546037 0.86 BRAF (0.69) RAF1BRAF
SCHEMBL546169 0.86 BRAF (0.68) RAF1BRAF
SCHEMBL546087 0.85 BRAF (0.68) RAF1BRAF
SCHEMBL545560 0.85 BRAF (0.68) 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
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed