SCHEMBL4055473

SCHEMBL4055473

CC[C@H](c1nc2c(Cl)cnn2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 20/20 0.66

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
SCHEMBL4055471 1.00 KIF11 (0.66) KIF11
Hydrochloric Acid SCHEMBL4050310 0.99 KIF11 (0.65) KIF11
Hydrochloric Acid SCHEMBL4050313 0.99 KIF11 (0.65) KIF11
SCHEMBL4052845 0.94 KIF11 (0.66) KIF11
SCHEMBL4052842 0.94 KIF11 (0.66) KIF11
Hydrochloric Acid SCHEMBL4048519 0.94 KIF11 (0.65) KIF11
Hydrochloric Acid SCHEMBL4048517 0.94 KIF11 (0.65) KIF11
SCHEMBL4054291 0.85 KIF11 (0.62) KIF11
SCHEMBL4049144 0.83 KIF11 (0.66) KIF11
SCHEMBL4049146 0.83 KIF11 (0.66) 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
EP-2070932-A1 Pyrazolotriazines 4SC AG (DE) 2009-06-17 EP claimed