SCHEMBL4749414

SCHEMBL4749414

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCCCN(C)C)C[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(F)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33
KIF11 P52732 1/20 0.31

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
SCHEMBL4749416 1.00 PIK3CD (0.33) PIK3CDKIF11
SCHEMBL4751995 1.00 PIK3CD (0.33) PIK3CDKIF11
SCHEMBL4749503 0.89 BCHE (0.34) KIF11
SCHEMBL4749009 0.89 BCHE (0.34) KIF11
SCHEMBL4751386 0.89 BCHE (0.34) KIF11
SCHEMBL4751292 0.89 BCHE (0.34) KIF11
SCHEMBL4749502 0.89 BCHE (0.34) KIF11
SCHEMBL4751295 0.89 BCHE (0.34) KIF11
SCHEMBL4025347 0.87 KIF11 (0.37) KIF11
SCHEMBL4749062 0.86 HTR7 (0.32) KIF11

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
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed