SCHEMBL4751959

SCHEMBL4751959

Cc1cc[c]cc1[C@H]1CN(CCCCN(C)C)C[C@H](C(=O)c2cccc(O)c2)[C@@H]1c1cccc(F)c1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
HTR7 P34969 2/20 0.30
EED O75530 1/20 0.30
BCHE P06276 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL4751996 0.95 KIF11 (0.31) KIF11HTR7BCHEKDR
SCHEMBL4749253 0.95 KIF11 (0.32) KIF11
SCHEMBL4751340 0.95 KIF11 (0.31) KIF11
SCHEMBL4749257 0.95 KIF11 (0.32) KIF11
SCHEMBL4751647 0.94 KIF11 (0.31) KIF11HTR7BCHEKDR
SCHEMBL4751648 0.94 KIF11 (0.31) KIF11HTR7BCHEKDR
SCHEMBL4749375 0.92 MEN1 (0.31)
SCHEMBL4749372 0.92 MEN1 (0.31)
SCHEMBL4025347 0.90 KIF11 (0.37) KIF11HTR7BCHEKDR
SCHEMBL4748982 0.89 KIF11 (0.32) KIF11HTR7BCHEKDR

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