SCHEMBL5988023

SCHEMBL5988023

Cc1cc(C)c(C=C2C(=O)Nc3cccnc32)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.64
KDR P35968 7/20 0.64
ALK Q9UM73 5/20 0.64
FLT3 P36888 4/20 0.64
FGFR1 P11362 3/20 0.64
SRC P12931 3/20 0.64
FLT4 P35916 3/20 0.64
PDGFRB P09619 3/20 0.64
NTRK1 P04629 3/20 0.64
NTRK3 Q16288 3/20 0.64
NTRK2 Q16620 3/20 0.64
CSF1R P07333 2/20 0.64
FLT1 P17948 2/20 0.64
FGFR3 P22607 2/20 0.64
MAPK1 P28482 2/20 0.64
ABL1 P00519 2/20 0.64
PDPK1 O15530 2/20 0.64
MEN1 O00255 2/20 0.64
MAPT P10636 2/20 0.64
KMT2A Q03164 2/20 0.64

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
SCHEMBL17480291 0.82 RET (0.71) RETKDRALKFLT3FGFR1
SCHEMBL5990284 0.81 RET (0.61) RETKDRALKFLT3FGFR1
SCHEMBL5989863 0.80 KDR (0.49) RETKDRALKFLT3FGFR1
SCHEMBL6390606 0.80 RET (0.64) RETKDRALKFLT3FGFR1
SCHEMBL12694942 0.80 RET (0.64) RETKDRALKFLT3FGFR1
SCHEMBL6390610 0.80 RET (0.64) RETKDRALKFLT3FGFR1
Semaxanib SCHEMBL19572 0.79 RET (1.00) RETKDRALKFLT3FGFR1
Semaxanib SCHEMBL29351025 0.79 RET (1.00) RETKDRALKFLT3FGFR1
Semaxanib SCHEMBL29373311 0.79 RET (1.00) RETKDRALKFLT3FGFR1
Semaxanib SCHEMBL28266617 0.79 RET (1.00) RETKDRALKFLT3FGFR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849641-B1 Azaindole tyrosine kinase inhibitors SUGEN, INC. (US) 2005-02-01 US claimed
US-6987113-B2 Tyrosine kinase inhibitors SUGEN, INC. (US) 2006-01-17 US disclosed