SCHEMBL545734

SCHEMBL545734

CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(N(C(=O)O)C(C)(C)C)c4)cc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.47
RAF1 P04049 6/20 0.46
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KDR P35968 3/20 0.42
LCK P06239 2/20 0.42
FYN P06241 2/20 0.42
PDGFRB P09619 2/20 0.42
KIT P10721 2/20 0.42
FLT1 P17948 2/20 0.42
FLT4 P35916 2/20 0.42
SRC P12931 1/20 0.42
PLAU P00749 1/20 0.42
KCNK9 Q9NPC2 1/20 0.41
PPARD Q03181 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
ENPP1 P22413 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
SCHEMBL4643326 0.84 BRAF (0.54) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL545714 0.84 KDM4E (0.52) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL5430598 0.82 BRAF (0.68) BRAFRAF1KDRLCKFYN
SCHEMBL5435294 0.82 BRAF (0.49) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL5423590 0.82 BRAF (0.62) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL544977 0.82 BRAF (0.51) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL547348 0.82 RAF1 (0.52) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL5426546 0.81 BRAF (0.49) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL545643 0.81 BRAF (0.54) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL10200809 0.80 BRAF (0.51) BRAFRAF1HDAC3HDAC8HDAC6

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