SCHEMBL4255875

SCHEMBL4255875

COc1ccc(C(=O)N(CCCN(C)C)CCC(C)c2cc3c(Cl)c(C)nn3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
PDE1B Q01064 2/20 0.39
KLK1 P06870 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KIF11 P52732 6/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MC4R P32245 3/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 0.35
LPAR1 Q92633 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL4255915 0.93 KIF11 (0.40) ALDH1A1KIF11
SCHEMBL4245630 0.93 KIF11 (0.41) ALDH1A1KIF11
SCHEMBL4252370 0.91 KIF11 (0.37) ALDH1A1KIF11MEN1KMT2A
SCHEMBL4245138 0.91 KIF11 (0.45) ALDH1A1KIF11KMT2AMC4R
SCHEMBL4255895 0.89 KIF11 (0.36) ALDH1A1KIF11LMNAGAA
SCHEMBL4251314 0.88 KIF11 (0.36) ALDH1A1KIF11LPAR1
SCHEMBL4249156 0.88 KIF11 (0.40) KIF11
SCHEMBL4255871 0.80 KIF11 (0.43) PDE1BKIF11
SCHEMBL4255872 0.79 PDE1B (0.38) PDE1BKLK1ALDH1A1KIF11MEN1
SCHEMBL4250107 0.79 KIF11 (0.51) KIF11HTT

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