SCHEMBL9966892

SCHEMBL9966892

CC(C)(C)OC(=O)N1CC[C@H](Nc2nc(-c3ccccc3O)nc3ccc(CO)cc23)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 7/20 0.52
CHEK1 O14757 4/20 0.49
DNMT3A Q9Y6K1 1/20 0.47
PIK3CD O00329 2/20 0.46
BTK Q06187 1/20 0.46
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45
PBRM1 Q86U86 1/20 0.45
BRD4 O60885 1/20 0.45
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 1/20 0.44
USP30 Q70CQ3 2/20 0.44
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
NSD2 O96028 1/20 0.43

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
SCHEMBL2332611 0.90 CHEK2 (0.54) CHEK2CHEK1DNMT3APIK3CDBTK
SCHEMBL2332607 0.90 CHEK2 (0.54) CHEK2CHEK1DNMT3APIK3CDBTK
SCHEMBL2328109 0.89 CHEK2 (0.49) CHEK2CHEK1DNMT3APIK3CDBTK
SCHEMBL2328113 0.89 CHEK2 (0.49) CHEK2CHEK1DNMT3APIK3CDBTK
SCHEMBL2335247 0.85 CHEK2 (0.54) CHEK2CHEK1DNMT3APIK3CDBTK
SCHEMBL2335252 0.85 CHEK2 (0.54) CHEK2CHEK1DNMT3APIK3CDBTK
SCHEMBL2332326 0.83 CHEK2 (0.62) CHEK2CHEK1BTKSMARCA2SMARCA4
SCHEMBL2332321 0.83 CHEK2 (0.62) CHEK2CHEK1BTKSMARCA2SMARCA4
SCHEMBL9966984 0.82 CHEK2 (0.54) CHEK2CHEK1DNMT3APIK3CDBTK
SCHEMBL9966927 0.81 CHEK2 (0.57) CHEK2CHEK1DNMT3APIK3CDBTK

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-2227460-B1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2012-06-20 EP disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 WO disclosed