SCHEMBL16712640

SCHEMBL16712640

COc1cc(-c2ccc3c(c2)Nc2ccc(C(C)(Cc4ccc(N5CCOCC5)cc4)C(N)=O)cc2NC3=O)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.61
IKBKB O14920 1/20 0.61
MARK3 P27448 2/20 0.57
MARK2 Q7KZI7 2/20 0.57
AURKB Q96GD4 2/20 0.57
CHEK2 O96017 1/20 0.57
KIT P10721 1/20 0.57
MAPK1 P28482 1/20 0.57
AKT1 P31749 1/20 0.57
PDPK1 O15530 2/20 0.52
JAK2 O60674 2/20 0.52
MAPK8 P45983 2/20 0.52
AURKA O14965 1/20 0.52
RPS6KB1 P23443 1/20 0.52
CDK2 P24941 1/20 0.52
PLK3 Q9H4B4 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.52
EGFR P00533 1/20 0.52
GSK3B P49841 1/20 0.52

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
SCHEMBL4882434 0.83 CHEK1 (0.84) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL4849220 0.80 CHEK1 (0.84) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL4848513 0.80 CHEK1 (0.78) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL6343450 0.79 CHEK1 (0.44) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL16712626 0.79 CHEK1 (0.56) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL16712638 0.77 CHEK1 (0.49) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL4859458 0.75 CHEK1 (0.73) CHEK1AURKBCHEK2PDPK1AURKA
SCHEMBL16712639 0.74 CHEK1 (0.46) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL4848005 0.74 CHEK1 (0.74) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL4856189 0.74 CHEK1 (0.82) CHEK1IKBKBMARK3MARK2AURKB

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-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP claimed