SCHEMBL1662296

SCHEMBL1662296

NC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.64
KDR P35968 11/20 0.61
TEK Q02763 7/20 0.61
BRAF P15056 7/20 0.61
PLK4 O00444 1/20 0.58
AURKA O14965 1/20 0.58
MAPK13 O15264 1/20 0.58
JAK2 O60674 1/20 0.58
MAP4K4 O95819 1/20 0.58
ABL1 P00519 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
LYN P07948 1/20 0.58
RET P07949 1/20 0.58
ROS1 P08922 1/20 0.58
SRC P12931 1/20 0.58
RPS6KB1 P23443 1/20 0.58
EPHA2 P29317 1/20 0.58
TYK2 P29597 1/20 0.58
AXL P30530 1/20 0.58

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
SCHEMBL1662217 0.91 BRAF (0.68) KDRBRAFMAPK14
SCHEMBL1661022 0.89 RAF1 (0.74) RAF1KDRTEKBRAFPLK4
SCHEMBL1660411 0.89 RAF1 (0.80) RAF1KDRTEKBRAFPLK4
SCHEMBL1396099 0.88 RAF1 (0.82) RAF1KDRBRAFPLK4AURKA
SCHEMBL1659083 0.87 RAF1 (0.64) RAF1KDRTEKBRAFPLK4
SCHEMBL1662287 0.86 RAF1 (0.66) RAF1KDRBRAFPLK4AURKA
SCHEMBL1662348 0.86 RAF1 (0.58) RAF1KDRBRAF
SCHEMBL19888735 0.86 KDR (0.63) RAF1KDRTEKBRAF
SCHEMBL937617 0.85 KDR (0.69) RAF1KDRTEKBRAFMAPK14
SCHEMBL13528819 0.85 KDR (0.78) RAF1KDRBRAFPLK4AURKA

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-2011046991-A2 CERTAIN SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT, INC. (US) 2011-04-21 WO disclosed