SCHEMBL7137643

SCHEMBL7137643

CNS(=O)(=O)c1ccc2c(c1)C(=Cc1ccccc1C(F)(F)F)C(=O)N2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.54
CDK2 P24941 3/20 0.54
SRC P12931 6/20 0.52
SYK P43405 4/20 0.52
NTRK1 P04629 3/20 0.52
FCER2 P06734 2/20 0.52
NTRK3 Q16288 2/20 0.52
NTRK2 Q16620 2/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LCK P06239 3/20 0.45
FYN P06241 3/20 0.45
YES1 P07947 3/20 0.45
FGFR1 P11362 3/20 0.45
PDGFRB P09619 2/20 0.45
AURKA O14965 1/20 0.43
TLK2 Q86UE8 1/20 0.43
PDPK1 O15530 1/20 0.43
FLT3 P36888 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
SCHEMBL5365998 0.91 KDR (0.54) KDRCDK2SRCSYKNTRK1
SCHEMBL5357890 0.88 SRC (0.51) KDRCDK2SRCSYKNTRK1
SCHEMBL7132924 0.86 NPC1 (0.60) KDRCDK2SRCSYKNTRK1
SCHEMBL5358525 0.85 SRC (0.51) KDRCDK2SRCSYKNTRK1
SCHEMBL7138258 0.84 MEN1 (0.66) KDRCDK2SRCSYKNTRK1
SCHEMBL7133821 0.84 KDR (0.56) KDRCDK2SRCSYKNTRK1
SCHEMBL7133374 0.82 KDR (0.57) KDRCDK2SRCSYKNTRK1
SCHEMBL7131130 0.82 NPC1 (0.63) KDRCDK2SRCSYKNTRK1
SCHEMBL5365875 0.81 SRC (0.51) KDRCDK2SRCSYKNTRK1
SCHEMBL7136896 0.81 KDR (0.56) KDRCDK2SRCSYKNTRK1

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
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed