SCHEMBL4920328

SCHEMBL4920328

CC(C)Oc1ccc(C(=O)N(C)N(Cc2ccc3[nH]c(-c4ccccc4)nc3c2)C(N)=O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 11/20 0.40
CENPE Q02224 1/20 0.39
PRSS12 P56730 2/20 0.37
S1PR1 P21453 2/20 0.36
RHEB Q15382 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2107051 0.79 CENPE (0.47) CHEK2CENPEPRSS12RHEBTP53
SCHEMBL5569249 0.78 CENPE (0.48) CENPES1PR1TP53MAPT
SCHEMBL4717871 0.76 CENPE (0.43) CHEK2CENPEPDE4APDE4BPDE4C
SCHEMBL4717868 0.75 HDAC3 (0.46) CHEK2CENPEPDE4APDE4BPDE4C
SCHEMBL2617481 0.73 CHEK2 (0.47) CHEK2CENPE
SCHEMBL2102868 0.72 CENPE (0.47) CENPETP53MAPT
SCHEMBL13644431 0.71 CENPE (0.45) CHEK2CENPEPRSS12S1PR1RHEB
SCHEMBL2103765 0.71 CENPE (0.45) CHEK2CENPEPRSS12S1PR1RHEB
SCHEMBL4400479 0.71 CENPE (0.45) CHEK2CENPEPRSS12S1PR1RHEB
SCHEMBL2105475 0.71 CENPE (0.48) CENPETP53MAPT

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-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed