SCHEMBL13655902

SCHEMBL13655902

CC(C)(C)[C@H](N)C(=O)N1CC(c2cc(Cl)ccc2F)=CC1c1cccc(O)c1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 20/20 0.70
KCNH2 Q12809 15/20 0.70

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
SCHEMBL4071719 1.00 KIF11 (0.70) KIF11KCNH2
SCHEMBL4978603 1.00 KIF11 (0.70) KIF11KCNH2
SCHEMBL4067996 0.91 KIF11 (0.83) KIF11KCNH2
SCHEMBL4066223 0.90 KIF11 (0.84) KIF11KCNH2
SCHEMBL4060453 0.90 KIF11 (0.84) KIF11KCNH2
SCHEMBL4060449 0.90 KIF11 (0.84) KIF11KCNH2
SCHEMBL4066227 0.90 KIF11 (0.84) KIF11KCNH2
SCHEMBL4057840 0.86 KIF11 (0.84) KIF11KCNH2
SCHEMBL4067640 0.86 KIF11 (0.84) KIF11KCNH2
SCHEMBL4067473 0.85 KIF11 (0.70) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515724-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-10-21 EP disclosed
US-7348440-B2 Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-7348440-B2 Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-7329762-B2 Prodrugs of mitotic kinesin inhibitors MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329762-B2 Prodrugs of mitotic kinesin inhibitors MERCK & CO., INC. (US) 2008-02-12 US disclosed