SCHEMBL13454462

SCHEMBL13454462

CC1(C)CNCc2cc(NC(=O)c3cccnc3NCc3ccnc(OCCF)c3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.57
KIT P10721 3/20 0.57
BRAF P15056 3/20 0.57
CIT O14578 1/20 0.57
MAP3K7 O43318 1/20 0.57
RIPK2 O43353 1/20 0.57
STK10 O94804 1/20 0.57
MAP4K4 O95819 1/20 0.57
ABL1 P00519 1/20 0.57
EGFR P00533 1/20 0.57
RAF1 P04049 1/20 0.57
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57
CSF1R P07333 1/20 0.57
YES1 P07947 1/20 0.57
LYN P07948 1/20 0.57
RET P07949 1/20 0.57
HCK P08631 1/20 0.57
PDGFRB P09619 1/20 0.57
FGR P09769 1/20 0.57

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
SCHEMBL3155539 0.91 KDR (0.60) KDRKITBRAFCITMAP3K7
SCHEMBL3154257 0.90 KDR (0.56) KDRKITBRAFCITMAP3K7
SCHEMBL3147734 0.86 KDR (0.62) KDRKITBRAFCITMAP3K7
SCHEMBL444745 0.86 KDR (0.76) KDRKITBRAFCITMAP3K7
SCHEMBL3154986 0.85 KDR (0.63) KDRKITBRAFCITMAP3K7
SCHEMBL6104964 0.84 KDR (0.64) KDRKITBRAFCITMAP3K7
SCHEMBL3159423 0.83 KDR (0.58) KDRKITBRAFCITMAP3K7
SCHEMBL13417746 0.82 KDR (0.53) KDRKITBRAFCITMAP3K7
SCHEMBL3147544 0.82 KDR (0.59) KDRKITBRAFCITMAP3K7
SCHEMBL5626246 0.81 KIT (0.49) KDRKITBRAFCITMAP3K7

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-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed