SCHEMBL6204328

SCHEMBL6204328

C#CCC(N)C(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.71
KCNH2 Q12809 14/20 0.71

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
SCHEMBL4061189 1.00 KIF11 (0.71) KIF11KCNH2
SCHEMBL4061494 1.00 KIF11 (0.71) KIF11KCNH2
SCHEMBL13655833 0.91 KIF11 (0.69) KIF11KCNH2
SCHEMBL4065376 0.89 KIF11 (0.74) KIF11KCNH2
SCHEMBL4066597 0.88 KIF11 (0.73) KIF11KCNH2
SCHEMBL4063362 0.88 KIF11 (0.76) KIF11KCNH2
SCHEMBL4060594 0.88 KIF11 (0.73) KIF11KCNH2
SCHEMBL4068314 0.87 KIF11 (0.72) KIF11KCNH2
SCHEMBL4061839 0.87 KIF11 (0.72) KIF11KCNH2
SCHEMBL4058935 0.87 KIF11 (0.72) KIF11KCNH2

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-1515724-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2005-08-17 EP claimed
EP-1515724-A1 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-03-23 EP claimed
WO-2003105855-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-12-24 WO claimed