SCHEMBL4770923

SCHEMBL4770923

NC(=O)c1cccc(-c2cccs2)c1-c1ccnc2n[nH]cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.38
NUDT1 P36639 1/20 0.37
CCNE2 O96020 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
TOP2A P11388 1/20 0.35
BTK Q06187 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4762978 0.82 BCAT2 (0.44) CDC7NUDT1CCNE2CCNE1CDK2
SCHEMBL4770932 0.81 NUDT1 (0.41) CDC7NUDT1CCNE2CCNE1CDK2
SCHEMBL7428184 0.80 TDO2 (0.40) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL4768889 0.78 NUDT1 (0.58) NUDT1CCNE2CCNE1CDK2CCNB2
SCHEMBL27740539 0.73 KDM4E (0.47) CDC7BTKKEAP1NFE2L2KDM4E
SCHEMBL1694890 0.70 KDM4E (0.45) NUDT1CCNE2CCNE1CDK2CCNB2
SCHEMBL2417969 0.68 ALDH1A1 (0.49) BTKKEAP1NFE2L2KDM4EALDH1A1
SCHEMBL3559657 0.67 ALDH1A1 (0.54) BTKKEAP1NFE2L2KDM4EALDH1A1
SCHEMBL27484628 0.67 ALDH1A1 (0.58) CDC7BTKKEAP1NFE2L2KDM4E
SCHEMBL17237437 0.65 SIRT3 (0.51) CDC7BTKKDM4EALDH1A1GAA

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-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP claimed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO claimed