SCHEMBL3823960

SCHEMBL3823960

CC(CNC(=O)c1cccc(-c2cnc(N)c(C(=O)N[C@H]3CCNC3)n2)c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 8/20 0.55
ATR Q13535 12/20 0.53

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
SCHEMBL3460817 0.88 TYRO3 (0.57) TYRO3ATR
SCHEMBL3461204 0.88 TYRO3 (0.57) TYRO3ATR
SCHEMBL3462250 0.86 ATR (0.56) TYRO3ATR
SCHEMBL3460391 0.86 ATR (0.56) TYRO3ATR
SCHEMBL3460197 0.85 ATR (0.56) TYRO3ATR
SCHEMBL3823950 0.85 TYRO3 (0.55) TYRO3ATR
SCHEMBL3820905 0.85 ATR (0.56) TYRO3ATR
SCHEMBL3462142 0.83 PIK3CD (0.58) ATR
SCHEMBL3461001 0.83 TYRO3 (0.54) TYRO3ATR
SCHEMBL3462042 0.82 TYRO3 (0.61) TYRO3ATR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 WO disclosed