SCHEMBL13417840

SCHEMBL13417840

CNc1cc(CNc2ncccc2C(=O)Nc2ccc3c(c2)NCCC3(C)C)ccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.69
KIT P10721 3/20 0.69
BRAF P15056 3/20 0.69
RET P07949 2/20 0.69
MAP3K20 Q9NYL2 2/20 0.69
RIPK3 Q9Y572 2/20 0.69
CIT O14578 1/20 0.69
MAP3K7 O43318 1/20 0.69
RIPK2 O43353 1/20 0.69
STK10 O94804 1/20 0.69
MAP4K4 O95819 1/20 0.69
ABL1 P00519 1/20 0.69
EGFR P00533 1/20 0.69
RAF1 P04049 1/20 0.69
LCK P06239 1/20 0.69
FYN P06241 1/20 0.69
CSF1R P07333 1/20 0.69
YES1 P07947 1/20 0.69
LYN P07948 1/20 0.69
HCK P08631 1/20 0.69

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
SCHEMBL3144781 0.92 KDR (0.81) KDRKITBRAFRETMAP3K20
SCHEMBL3155086 0.90 KDR (0.69) KDRKITBRAFRETMAP3K20
SCHEMBL3150119 0.90 KDR (0.85) KDRKITBRAFRETMAP3K20
SCHEMBL3150757 0.88 KDR (0.64) KDRKITBRAFRETMAP3K20
SCHEMBL3151947 0.88 KDR (0.67) KDRKITBRAFRETMAP3K20
SCHEMBL13417728 0.88 KDR (0.66) KDRKITBRAFRETMAP3K20
SCHEMBL3155362 0.86 KDR (0.64) KDRKITBRAFRETMAP3K20
SCHEMBL3159874 0.86 KDR (0.61) KDRKITBRAFRETMAP3K20
SCHEMBL3154986 0.84 KDR (0.63) KDRKITBRAFRETMAP3K20
SCHEMBL3145270 0.84 KDR (0.61) KDRKITBRAFRETMAP3K20

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