SCHEMBL3823950

SCHEMBL3823950

CC(Cc1ccccc1)NC(=O)c1cccc(-c2cnc(N)c(C(=O)N[C@H]3CCNC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 8/20 0.55
ATR Q13535 11/20 0.53
ACVR1 Q04771 1/20 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
SCHEMBL3460817 0.89 TYRO3 (0.57) TYRO3ATR
SCHEMBL3461204 0.89 TYRO3 (0.57) TYRO3ATR
SCHEMBL3462250 0.87 ATR (0.56) TYRO3ATR
SCHEMBL3460391 0.87 ATR (0.56) TYRO3ATR
SCHEMBL3460197 0.86 ATR (0.56) TYRO3ATR
SCHEMBL3461800 0.86 ATR (0.51) TYRO3ATRACVR1
SCHEMBL3820901 0.85 ATR (0.56) TYRO3ATRACVR1
SCHEMBL3823960 0.85 TYRO3 (0.55) TYRO3ATR
SCHEMBL3826321 0.84 PIK3CD (0.56) ATR
SCHEMBL3460301 0.83 TYRO3 (0.61) TYRO3ATRACVR1

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