SCHEMBL6979960

SCHEMBL6979960

Cc1ccc(C2(N3CCOCC3)C=C(C(N)=O)C=CN2)cc1NC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.41
TOP2A P11388 1/20 0.38
GPR119 Q8TDV5 4/20 0.38
TBK1 Q9UHD2 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
KMT2A Q03164 1/20 0.34
JAK2 O60674 1/20 0.33

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
SCHEMBL6975773 0.94 RAB9A (0.38) CHEK2TOP2ATBK1KMT2A
SCHEMBL6972610 0.91 PDE4D (0.41) TOP2ATBK1KMT2A
SCHEMBL6973782 0.90 TBK1 (0.36) CHEK2TOP2ATBK1KMT2A
SCHEMBL6979964 0.74 CHEK2 (0.46) CHEK2TOP2AGPR119TBK1
SCHEMBL6476511 0.72 MAPK14 (0.62) GPR119
SCHEMBL7809442 0.72 MAPK14 (0.52) GPR119KMT2A
SCHEMBL6979962 0.71 MAPK14 (0.61)
SCHEMBL2972096 0.69 OPRK1 (0.58) GPR119
SCHEMBL6975780 0.69 TBK1 (0.43) CHEK2TBK1
SCHEMBL6476766 0.68 OPRK1 (0.59) GPR119

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
EP-1115707-B1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2003-11-12 EP disclosed