SCHEMBL4639795

SCHEMBL4639795

Cc1[nH]c(C(F)=C2C(=O)Nc3ccccc32)c(C)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.45
TDO2 P48775 1/20 0.45
ALK Q9UM73 3/20 0.44
KDR P35968 6/20 0.41
FLT3 P36888 4/20 0.41
FGFR1 P11362 4/20 0.41
RET P07949 3/20 0.41
PDGFRB P09619 3/20 0.41
AURKA O14965 2/20 0.41
FLT1 P17948 2/20 0.41
MAP4K2 Q12851 2/20 0.41
STK3 Q13188 2/20 0.41
AURKB Q96GD4 2/20 0.41
FLT4 P35916 2/20 0.41
PRKAA1 Q13131 2/20 0.41
GAK O14976 1/20 0.41
RPS6KA5 O75582 1/20 0.41
RPS6KA4 O75676 1/20 0.41
LATS1 O95835 1/20 0.41
CSNK2A2 P19784 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
SCHEMBL5550343 1.00 IDO1 (0.45) IDO1TDO2ALKKDRFLT3
SCHEMBL7197592 0.80 TDP1 (0.47) IDO1TDO2ALKKDRFLT3
SCHEMBL6320390 0.79 GALR3 (0.41) IDO1TDO2ALKKDRFLT3
SCHEMBL2342762 0.79 KDR (0.65) ALKKDRFLT3FGFR1RET
SCHEMBL2111143 0.72 FLT3 (0.73) ALKKDRFLT3FGFR1RET
SCHEMBL4464503 0.72 FLT3 (0.73) ALKKDRFLT3FGFR1RET
SCHEMBL4638132 0.71 TDP1 (0.48) IDO1TDO2ALKKDRFLT3
SCHEMBL20338612 0.70 FGFR1 (0.61) IDO1TDO2ALKKDRFLT3
SCHEMBL20338610 0.70 FGFR1 (0.61) IDO1TDO2ALKKDRFLT3
SCHEMBL2115541 0.69 IDO1 (0.46) IDO1TDO2ALKKDRFLT3

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-1536783-B1 SOLID FORMULATIONS COMPRISING AN INDOLINONE COMPOUND PFIZER ITALIA SRL (IT) 2008-08-06 EP disclosed