SCHEMBL16665341

SCHEMBL16665341

CCC(=O)Nc1ccccc1Nc1cc(Oc2ccc3c(c2)cc(C)n3C)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
RAF1 P04049 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
SRC P12931 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
GALR3 O60755 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
SCHEMBL16665367 0.86 FGFR4 (0.49) BRAFMEN1KMT2AKDM4ETDP1
SCHEMBL16665269 0.81 GCK (0.40) BRAFMEN1KMT2AKDM4ERAF1
SCHEMBL16665343 0.80 P2RX3 (0.52) KDRP2RX3
SCHEMBL13788617 0.73 BRAF (0.58) BRAFRAF1LCKFYNPDGFRB
SCHEMBL16665298 0.73 FGFR4 (0.46)
SCHEMBL16665300 0.71 FGFR4 (0.46) BRAFKDM4ELCKFYNPDGFRB
SCHEMBL13953729 0.70 BRAF (0.71) BRAFRAF1LCKFYNPDGFRB
SCHEMBL16665285 0.68 GRM5 (0.49) HTT
SCHEMBL4338703 0.67 BRAF (0.82) BRAFRAF1LCKFYNPDGFRB
SCHEMBL11719516 0.67 MEN1 (0.64) MEN1KMT2AKDM4ETDP1NPC1

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-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed