SCHEMBL15427656

SCHEMBL15427656

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(C#CC(=O)NCCI)ccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.40
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KA4 O75676 1/20 0.40
CDKL5 O76039 1/20 0.40
STK10 O94804 1/20 0.40
LATS1 O95835 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
YES1 P07947 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
HCK P08631 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
FER P16591 1/20 0.40
FECH P22830 1/20 0.40

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
SCHEMBL10325557 0.94 MAP2K1 (0.40) MAP2K1CDC7PLK4AURKARPS6KA4
SCHEMBL12237872 0.94 MAP2K1 (0.40) MAP2K1CDC7PLK4AURKARPS6KA4
SCHEMBL4081822 0.92 MAP2K1 (0.48) MAP2K1CDC7PLK4AURKARPS6KA4
SCHEMBL26907228 0.92 MAP2K1 (0.48) MAP2K1CDC7PLK4AURKARPS6KA4
SCHEMBL10326049 0.92 MAP2K1 (0.48) MAP2K1CDC7PLK4AURKARPS6KA4
SCHEMBL10293630 0.91 MAP2K1 (0.40) MAP2K1CDC7PLK4AURKARPS6KA4
SCHEMBL10325117 0.91 MAP2K1 (0.40) MAP2K1CDC7PLK4AURKARPS6KA4
SCHEMBL14353091 0.89 MAP2K1 (0.51) MAP2K1CDC7PLK4AURKARPS6KA4
SCHEMBL10293633 0.89 MAP2K1 (0.51) MAP2K1CDC7PLK4AURKARPS6KA4
SCHEMBL14353092 0.89 MAP2K1 (0.51) MAP2K1CDC7PLK4AURKARPS6KA4

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-2014009319-A1 INDOLINONE DERIVATIVES ANTICANCER COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-16 WO disclosed