SCHEMBL14565809

SCHEMBL14565809

Cn1c(Nc2cc(C(F)(F)F)ccc2F)nc2cc(Oc3ccnc(C(=N)N)c3)ccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.70
CYP3A4 P08684 3/20 0.64
LCK P06239 2/20 0.60
RAF1 P04049 10/20 0.59
KDR P35968 2/20 0.53
TEK Q02763 2/20 0.53
STK25 O00506 1/20 0.49
CIT O14578 1/20 0.49
EPHB6 O15197 1/20 0.49
MAP3K7 O43318 1/20 0.49
RIPK2 O43353 1/20 0.49
PAK3 O75914 1/20 0.49
STK10 O94804 1/20 0.49
MAP4K4 O95819 1/20 0.49
ABL1 P00519 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
YES1 P07947 1/20 0.49
LYN P07948 1/20 0.49
RET P07949 1/20 0.49

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
SCHEMBL13559580 0.92 BRAF (0.76) BRAFCYP3A4LCKRAF1KDR
SCHEMBL2894143 0.89 BRAF (0.76) BRAFCYP3A4LCKRAF1KDR
SCHEMBL13504266 0.87 BRAF (0.71) BRAFCYP3A4LCKRAF1KDR
SCHEMBL13209869 0.87 BRAF (0.78) BRAFCYP3A4LCKRAF1KDR
SCHEMBL12811799 0.87 BRAF (0.72) BRAFCYP3A4LCKRAF1KDR
SCHEMBL2892205 0.86 BRAF (0.72) BRAFCYP3A4LCKRAF1KDR
SCHEMBL13210398 0.85 BRAF (0.69) BRAFCYP3A4LCKRAF1KDR
SCHEMBL2893190 0.85 BRAF (0.73) BRAFCYP3A4LCKRAF1KDR
SCHEMBL2893957 0.84 BRAF (0.69) BRAFCYP3A4LCKRAF1KDR
SCHEMBL2893885 0.84 BRAF (0.71) BRAFCYP3A4LCKRAF1KDR

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-2007027950-A1 SUBSTITUTED BENZIMIDAZOLES AND METHODS OF PREPARATION NOVARTIS AG (CH) 2007-03-08 WO disclosed