SCHEMBL4248248

SCHEMBL4248248

CC[C@H](c1cc2cc(C)nn2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 20/20 0.57

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
SCHEMBL4248246 1.00 KIF11 (0.57) KIF11
SCHEMBL4248650 0.94 KIF11 (0.64) KIF11
SCHEMBL4247606 0.93 KIF11 (0.63) KIF11
Hydrochloric Acid SCHEMBL4247600 0.93 KIF11 (0.63) KIF11
SCHEMBL4247608 0.93 KIF11 (0.63) KIF11
Hydrochloric Acid SCHEMBL4247602 0.93 KIF11 (0.63) KIF11
SCHEMBL4248381 0.92 KIF11 (0.57) KIF11
SCHEMBL4248384 0.92 KIF11 (0.57) KIF11
SCHEMBL4244628 0.91 KIF11 (0.58) KIF11
SCHEMBL4244626 0.91 KIF11 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035426-A1 PYRAZOLOPYRIMIDONES 4SC AG (DE) 2009-03-18 EP disclosed
WO-2007144384-A1 PYRAZOLOPYRIMIDONES 4SC AG (DE) 2007-12-21 WO disclosed