SCHEMBL28804479

SCHEMBL28804479

NC(=O)c1cc(-c2cc(F)ccc2F)[nH]c1N(N)C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.38
CDC7 O00311 5/20 0.36
BTK Q06187 4/20 0.35
SLC9A1 P19634 5/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
PLK4 O00444 1/20 0.32
MAPK13 O15264 1/20 0.32
DAPK3 O43293 1/20 0.32
DYRK3 O43781 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32
CHEK2 O96017 1/20 0.32
PRKCG P05129 1/20 0.32
CDK1 P06493 1/20 0.32
PRKACA P17612 1/20 0.32
CDK2 P24941 1/20 0.32
MARK3 P27448 1/20 0.32
MAPK1 P28482 1/20 0.32
FRK P42685 1/20 0.32

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
SCHEMBL27767419 0.89 IDO1 (0.39) BRD4CDC7BTKMAPK1
SCHEMBL27767422 0.86 CDC7 (0.47) BRD4CDC7BTK
SCHEMBL27909795 0.86 CDC7 (0.35) BRD4CDC7PLK4MAPK13DAPK3
SCHEMBL27767416 0.83 CDC7 (0.52) BRD4CDC7BTKJAK2CDK2
SCHEMBL27788865 0.81 BRD4 (0.40) BRD4JAK2CDK9
SCHEMBL27767415 0.80 CDC7 (0.52) BRD4CDC7CDK2
SCHEMBL27789042 0.78 CASP1 (0.45) BRD4CDC7PLK4MAPK13DAPK3
SCHEMBL27789086 0.78 BRD4 (0.44) BRD4CDC7CDK1CSNK1A1GSK3A
SCHEMBL27909732 0.78 JAK2 (0.44) BRD4CDC7PLK4MAPK13DAPK3
SCHEMBL4338838 0.77 BRD4 (0.42) BRD4CDC7BTKSLC9A1CES2

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
CN-101622229-B Pyrrole derivatives having ureido and aminocarbonyl groups as substituents SANTEN PHARMACEUTICAL CO LTD 2013-02-27 CN claimed
CN-101622229-B Pyrrole derivatives having ureido and aminocarbonyl groups as substituents SANTEN PHARMACEUTICAL CO LTD 2013-02-27 CN disclosed