SCHEMBL807569

SCHEMBL807569

Cc1ccccc1CC(=O)N1CCc2[nH]nc(-c3ccncc3)c2C1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.62
CREBBP Q92793 1/20 0.62
MAPK1 P28482 2/20 0.50

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
SCHEMBL10212328 0.90 BRD4 (0.60) BRD4CREBBPMAPK1
SCHEMBL15065253 0.88 BRD4 (0.60) BRD4CREBBPMAPK1
SCHEMBL807436 0.88 BRD4 (0.60) BRD4CREBBPMAPK1
SCHEMBL807435 0.87 BRD4 (0.59) BRD4CREBBPMAPK1
SCHEMBL807239 0.87 BRD4 (0.64) BRD4CREBBPMAPK1
SCHEMBL15082126 0.85 BRD4 (0.57) BRD4CREBBPMAPK1
SCHEMBL807221 0.85 BRD4 (0.58) BRD4CREBBPMAPK1
SCHEMBL807242 0.84 BRD4 (0.57) BRD4CREBBPMAPK1
SCHEMBL807232 0.83 BRD4 (0.67) BRD4CREBBPMAPK1
SCHEMBL807225 0.83 BRD4 (0.61) BRD4CREBBPMAPK1

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
WO-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 WO disclosed