SCHEMBL1661022

SCHEMBL1661022

NC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)ccn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.74
KDR P35968 7/20 0.69
BRAF P15056 4/20 0.69
PLK4 O00444 2/20 0.58
AURKA O14965 2/20 0.58
MAPK13 O15264 2/20 0.58
MAP4K4 O95819 2/20 0.58
ABL1 P00519 2/20 0.58
LCK P06239 2/20 0.58
FYN P06241 2/20 0.58
LYN P07948 2/20 0.58
RET P07949 2/20 0.58
SRC P12931 2/20 0.58
RPS6KB1 P23443 2/20 0.58
EPHA2 P29317 2/20 0.58
AXL P30530 2/20 0.58
FRK P42685 2/20 0.58
MAPK9 P45984 2/20 0.58
BLK P51451 2/20 0.58
CAMK2B Q13554 2/20 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
SCHEMBL1662209 0.90 BRAF (0.69) RAF1KDRBRAFABL1RET
SCHEMBL1662296 0.89 RAF1 (0.64) RAF1KDRBRAFPLK4AURKA
SCHEMBL1660255 0.89 RAF1 (0.79) RAF1KDRBRAFPLK4AURKA
SCHEMBL1660245 0.87 RAF1 (0.68) RAF1KDRBRAFPLK4AURKA
SCHEMBL1396099 0.87 RAF1 (0.82) RAF1KDRBRAFPLK4AURKA
SCHEMBL937916 0.86 KDR (0.69) RAF1KDRBRAFMAPK14TNNI3K
SCHEMBL1662287 0.85 RAF1 (0.66) RAF1KDRBRAFPLK4AURKA
SCHEMBL29918250 0.85 RAF1 (1.00) RAF1KDRBRAFPLK4AURKA
SCHEMBL1660163 0.85 RAF1 (0.66) RAF1KDRBRAFPLK4AURKA
SCHEMBL548133 0.85 RAF1 (1.00) 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