SCHEMBL28706013

SCHEMBL28706013

CCCS(=O)(=O)CCCN(c1cc(F)c(F)c(Oc2ccc([N+](=O)[O-])c(C(=O)O)c2C)c1F)[SH](=O)=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.32
HCAR3 P49019 1/20 0.30

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
SCHEMBL28704274 0.90
SCHEMBL22831979 0.83 BRAF (0.34) BRAFHCAR3
SCHEMBL22831947 0.74 BRAF (0.33) BRAF
SCHEMBL22831977 0.72 BRAF (0.41) BRAFHCAR3
SCHEMBL28691715 0.67 BRAF (0.30) BRAF
SCHEMBL22831945 0.64 BRAF (0.39) BRAF
SCHEMBL31150404 0.64 BRAF (0.45) BRAF
SCHEMBL30396199 0.63 KMT2A (0.39)
SCHEMBL22831802 0.62 BRAF (0.33) BRAF
SCHEMBL22832025 0.62 HSPB1 (0.34)

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
CN-114026073-A Quinazolin-4-one derivatives for the treatment of BRAF related diseases and disorders ARRAY生物制药公司 2022-02-08 CN disclosed