SCHEMBL1755801

SCHEMBL1755801

COc1cc(C)c(C(=O)c2c(C(C)C)[nH]c3cc(C#N)ccc23)cc1C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CFB P00751 9/20 0.40
ALK Q9UM73 6/20 0.36
TUBB1 Q9H4B7 1/20 0.34
GUSB P08236 2/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL1755964 0.80 ALK (0.47) ALK
SCHEMBL20855586 0.67 AR (0.50)
SCHEMBL30468153 0.67 AR (0.50)
SCHEMBL7291041 0.67 AR (0.46) LRRK2
SCHEMBL897695 0.65 ALK (0.73) ALK
SCHEMBL23676452 0.65 IMPDH2 (0.38) ALK
SCHEMBL23676490 0.64 RET (0.39) ALK
SCHEMBL3361866 0.63 LRRK2 (0.48) LRRK2
SCHEMBL29149145 0.61 KMT2A (0.44)
SCHEMBL4878704 0.61 GPR17 (0.49) TUBB1

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-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed