SCHEMBL4245137

SCHEMBL4245137

CCC(C)(c1cc2c(Cl)c(C)nn2c(=O)n1Cc1ccccc1)N(CCCN(C)C)C(=O)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.45
ALDH1A1 P00352 1/20 0.35
CHRM2 P08172 2/20 0.33
CHRM3 P20309 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRPF1 P55201 1/20 0.32

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
SCHEMBL4255912 0.94 KIF11 (0.40) KIF11ALDH1A1TDP1
SCHEMBL4245624 0.94 KIF11 (0.41) KIF11ALDH1A1
SCHEMBL4252369 0.92 KIF11 (0.37) KIF11ALDH1A1TDP1
SCHEMBL4255894 0.91 KIF11 (0.36) KIF11ALDH1A1
SCHEMBL4255872 0.91 PDE1B (0.38) KIF11ALDH1A1CHRM2CHRM3TDP1
SCHEMBL4251311 0.89 KIF11 (0.36) KIF11ALDH1A1
SCHEMBL4249153 0.89 KIF11 (0.40) KIF11TDP1
SCHEMBL4245135 0.79 KIF11 (0.52) KIF11
SCHEMBL4245138 0.79 KIF11 (0.45) KIF11ALDH1A1TDP1
SCHEMBL4055444 0.79 KIF11 (0.39) 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