SCHEMBL28635697

SCHEMBL28635697

Cc1ccc(C(=O)Nc2ccnc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.51
BRAF P15056 7/20 0.49
HDAC4 P56524 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49

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
SCHEMBL16035424 0.92 RAF1 (0.54) RAF1BRAF
SCHEMBL29427236 0.92 RAF1 (0.54) RAF1BRAF
SCHEMBL28645974 0.88 RAF1 (0.43) RAF1BRAF
SCHEMBL25984083 0.86 RAF1 (0.54) RAF1BRAF
SCHEMBL18988986 0.85 RAF1 (0.55) RAF1BRAF
SCHEMBL30439966 0.85 RAF1 (0.55) RAF1BRAF
SCHEMBL24318073 0.84 RAF1 (0.51) RAF1BRAF
SCHEMBL16035171 0.82 LMNA (0.61) RAF1BRAF
SCHEMBL28652269 0.82 RAF1 (0.47) RAF1BRAF
SCHEMBL4016155 0.81 RAF1 (0.58) 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
CN-113264945-A Spiro derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-08-17 CN disclosed