SCHEMBL5819748

SCHEMBL5819748

CCN1C(=O)N(c2cc(OC)cc(C(=O)Nc3ccc(N4CCOCC4)c(C(F)(F)F)c3)c2)Cc2cnc3[nH]ccc3c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FGFR1 P11362 3/20 0.46
FGFR2 P21802 3/20 0.46
FGFR3 P22607 3/20 0.46
KDR P35968 2/20 0.46
MAPK14 Q16539 7/20 0.43
MAP3K20 Q9NYL2 5/20 0.43
MAP3K7 O43318 5/20 0.43
MAP4K2 Q12851 5/20 0.43
CSK P41240 4/20 0.43
RAF1 P04049 3/20 0.43
EPHA2 P29317 2/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
LYN P07948 1/20 0.43
SRC P12931 1/20 0.43

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
SCHEMBL5820505 0.93 MAPK14 (0.48) BRAFMAPTFGFR1FGFR2FGFR3
SCHEMBL5821664 0.91 FGFR1 (0.48) TP53MAPTSMN1; SMN2FGFR1FGFR2
SCHEMBL5817149 0.90 FGFR1 (0.52) MAPTSMN1; SMN2FGFR1FGFR2FGFR3
SCHEMBL5819020 0.86 MAP3K20 (0.59) MAPTMAPK14MAP3K20MAP3K7MAP4K2
SCHEMBL5812553 0.84 CHRM1 (0.53) TP53MAPTFGFR1FGFR2FGFR3
SCHEMBL5819066 0.84 KDR (0.51) MAPTTHRBFGFR1FGFR2FGFR3
SCHEMBL5823136 0.82 FGFR1 (0.57) MAPTSMN1; SMN2FGFR1FGFR2FGFR3
SCHEMBL5814241 0.81 FGFR1 (0.47) BRAFFGFR1FGFR2FGFR3KDR
SCHEMBL5819541 0.81 KDR (0.54) TP53MAPTSMN1; SMN2FGFR1FGFR2
SCHEMBL5817693 0.81 MAP4K2 (0.50) BRAFFGFR1FGFR2FGFR3KDR

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
WO-2006124731-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-11-23 WO claimed