SCHEMBL1695143

SCHEMBL1695143

CC(C)NC(=O)c1ccnc2[nH]ncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.44
SGK1 O00141 1/20 0.41
KDM5A P29375 1/20 0.40
BRD4 O60885 1/20 0.40
CCNE2 O96020 3/20 0.40
CCNE1 P24864 3/20 0.40
CDK2 P24941 3/20 0.40
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
BRAF P15056 1/20 0.40
EIF2AK3 Q9NZJ5 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
DYRK1A Q13627 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL30989267 0.80 TSHR (0.50) BRD4CCNE2CCNE1CDK2ALDH1A1
SCHEMBL15532940 0.80 TSHR (0.50) BRD4CCNE2CCNE1CDK2ALDH1A1
SCHEMBL1694708 0.78 KDM4E (0.44) ROCK2KDM5ABRD4CCNE2CCNE1
SCHEMBL29705507 0.78 KDM4E (0.44) ROCK2KDM5ABRD4CCNE2CCNE1
SCHEMBL2587386 0.77 METTL3 (0.53)
SCHEMBL29499046 0.76 RET (0.46) BRD4CCNE2CCNE1CDK2SMN1; SMN2
SCHEMBL1694892 0.76 RET (0.46) BRD4CCNE2CCNE1CDK2SMN1; SMN2
SCHEMBL30424537 0.75 NUDT1 (0.64) ALDH1A1MAPTJAK2JAK3
SCHEMBL14353567 0.75 NUDT1 (0.64) ALDH1A1MAPTJAK2JAK3
SCHEMBL31178646 0.74 BRD4 (0.44) ROCK2BRD4CCNE2CCNE1CDK2

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-2566479-A1 AZAINDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
WO-2012005805-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2012-01-12 WO disclosed