SCHEMBL14237253

SCHEMBL14237253

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

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.56
TYRO3 Q06418 2/20 0.45

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
SCHEMBL14237284 0.93 ATR (0.52) ATR
SCHEMBL14237199 0.90 ATR (0.48) ATRTYRO3
SCHEMBL3462046 0.85 ATR (0.68) ATRTYRO3
SCHEMBL3461563 0.84 ATR (0.58) ATR
SCHEMBL3460317 0.83 ATR (0.59) ATRTYRO3
SCHEMBL3459975 0.82 USP30 (0.55) ATR
SCHEMBL14237327 0.82 ATR (0.49) ATRTYRO3
SCHEMBL3459793 0.82 ATR (0.47) ATRTYRO3
SCHEMBL3459955 0.81 ATR (0.51) ATRTYRO3
SCHEMBL3461314 0.81 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