SCHEMBL14237199

SCHEMBL14237199

CC(C)(C)C1CC(CNC(=O)c2nc(-c3cccc(C(=O)NCc4ccccc4)c3)cnc2N)CCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATR Q13535 16/20 0.48
TYRO3 Q06418 2/20 0.46
MAP4K4 O95819 1/20 0.44
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44

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
SCHEMBL14237327 0.91 ATR (0.49) ATRTYRO3MAP4K4LDHALDHB
SCHEMBL14237253 0.90 ATR (0.56) ATRTYRO3
SCHEMBL14237284 0.84 ATR (0.52) ATR
SCHEMBL3462155 0.83 KDM4E (0.58) ATRTYRO3MAP4K4
SCHEMBL3460865 0.81 TYRO3 (0.66) ATRTYRO3MAP4K4LDHALDHB
SCHEMBL3459793 0.78 ATR (0.47) ATRTYRO3
SCHEMBL3460825 0.77 ATR (0.58) ATRMAP4K4LDHALDHB
SCHEMBL14237336 0.77 PIK3CD (0.49) ATRTYRO3
SCHEMBL3460033 0.77 ATR (0.53) ATRTYRO3
SCHEMBL3461314 0.77 ATR (0.46) ATR

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 disclosed