SCHEMBL4975339

SCHEMBL4975339

NC(=O)c1c(-c2ccc(N(C(N)=O)c3cc(C(F)(F)F)ccc3F)cc2)csc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.40
PRKCZ Q05513 11/20 0.38
PRKCI P41743 2/20 0.38
PLK4 O00444 2/20 0.37
AURKA O14965 2/20 0.37
MAPK13 O15264 2/20 0.37
PDPK1 O15530 2/20 0.37
JAK2 O60674 2/20 0.37
CHEK2 O96017 2/20 0.37
ABL1 P00519 2/20 0.37
NTRK1 P04629 2/20 0.37
INSR P06213 2/20 0.37
LCK P06239 2/20 0.37
FYN P06241 2/20 0.37
CSF1R P07333 2/20 0.37
LYN P07948 2/20 0.37
MET P08581 2/20 0.37
KIT P10721 2/20 0.37
PIM1 P11309 2/20 0.37
FGFR1 P11362 2/20 0.37

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
SCHEMBL20816501 0.79 FLT1 (0.62) KDRPRKCIPLK4AURKAMAPK13
SCHEMBL29923744 0.79 FLT1 (0.62) KDRPRKCIPLK4AURKAMAPK13
SCHEMBL27661088 0.76 KDR (0.64) KDRPLK4AURKAMAPK13PDPK1
SCHEMBL27661161 0.76 KDR (0.57) KDRPLK4AURKAMAPK13PDPK1
SCHEMBL4962802 0.76 ANO1 (0.49) KDRPLK4AURKAMAPK13PDPK1
SCHEMBL4964462 0.75 KIT (0.64) KDRPLK4AURKAMAPK13PDPK1
SCHEMBL28760558 0.74 KDR (0.53) KDRPRKCIPLK4AURKAMAPK13
SCHEMBL27640551 0.74 BRAF (0.61) KDRPLK4AURKAMAPK13PDPK1
SCHEMBL28760603 0.74 KDR (0.53) KDRPRKCIPLK4AURKAMAPK13
SCHEMBL27657281 0.73 KDR (0.47) KDRAURKAPDPK1CHEK2ABL1

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-1436279-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-13 EP disclosed