SCHEMBL14237286

SCHEMBL14237286

CC(C)(C)C1[C@@H](CNC(=O)c2nc(-c3cccc(C(=O)N[C@H]4CCc5ccccc54)c3)cnc2N)CCN1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 16/20 0.50
CFD P00746 2/20 0.41
TYRO3 Q06418 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 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
SCHEMBL3461201 0.90 ATR (0.52) ATR
SCHEMBL3462316 0.88 ATR (0.49) ATRTYRO3
SCHEMBL3460139 0.88 ATR (0.49) ATRTYRO3
SCHEMBL3462251 0.87 ATR (0.51) ATRCFD
SCHEMBL3462639 0.87 ATR (0.51) ATRCFD
SCHEMBL14237336 0.85 PIK3CD (0.49) ATRTYRO3
SCHEMBL3462894 0.83 ATR (0.49) ATRCFDTYRO3
SCHEMBL3462242 0.83 ATR (0.49) ATRCFDTYRO3
SCHEMBL3459993 0.83 ATR (0.52) ATRCFDTYRO3
SCHEMBL14237222 0.83 ATR (0.52) ATRCFDTYRO3

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
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed