SCHEMBL19986860

SCHEMBL19986860

Cc1ccc(C)c(Oc2ccnc3[nH]ccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.49
ROCK2 O75116 2/20 0.46
MAP3K7 O43318 2/20 0.45
MAP4K2 Q12851 2/20 0.45
BRD4 O60885 1/20 0.43
MAPK14 Q16539 2/20 0.42
FLT3 P36888 2/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
RAF1 P04049 1/20 0.42
FES P07332 1/20 0.42
LYN P07948 1/20 0.42
SRC P12931 1/20 0.42
FER P16591 1/20 0.42
EPHA2 P29317 1/20 0.42
EPHB2 P29323 1/20 0.42
CSK P41240 1/20 0.42
ABL2 P42684 1/20 0.42
EPHB4 P54760 1/20 0.42
MAP3K20 Q9NYL2 1/20 0.42

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
SCHEMBL31290944 0.86 ROCK2 (0.49) METROCK2MAP3K7MAP4K2BRD4
SCHEMBL24885851 0.86 ROCK2 (0.49) METROCK2MAP3K7MAP4K2BRD4
SCHEMBL31061568 0.81 MAP3K7 (0.53) METROCK2MAP3K7MAP4K2MAPK14
SCHEMBL10125124 0.75 AURKB (0.51) MAP4K2BRD4MAP4K4KDRPRKCI
SCHEMBL4819914 0.74 MET (0.48) METROCK2MAPK14KDRPRKCI
SCHEMBL29424797 0.73 BRD4 (0.60) METMAP4K2BRD4MAP4K4KDR
SCHEMBL298491 0.73 BRD4 (0.60) METMAP4K2BRD4MAP4K4KDR
SCHEMBL18725649 0.72 ROCK1 (0.53) SRCKDRPRKCIAXL
SCHEMBL29827142 0.72 ROCK1 (0.53) SRCKDRPRKCIAXL
SCHEMBL3485162 0.72 ROCK2 (0.52) METROCK2PRKCIAXL

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
EP-2937345-B1 TYPE II RAF KINASE INHIBITORS DANA FARBER CANCER INST INC (US) 2018-03-21 EP disclosed