SCHEMBL28537853

SCHEMBL28537853

CC(=O)N1CCC(c2cc(F)c3c(c2)N(Cn2ccnc2C)C(=O)[C@@H](C)O3)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ENPP2 Q13822 1/20 0.31
PDE4B Q07343 1/20 0.30
BTK Q06187 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
F10 P00742 1/20 0.30

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
SCHEMBL28535412 0.96 BRD4 (0.39) BRD4CCNT1CDK9
SCHEMBL20138007 0.81 CCNT1 (0.34) BRD4PDE4BBTKCCNT1CDK9
SCHEMBL20138016 0.78 LMNA (0.34) PDE4B
SCHEMBL20138162 0.77 PROKR1 (0.35) BRD4CCNT1CDK9
SCHEMBL20137992 0.77 TSHR (0.37) CCNT1CDK9
SCHEMBL20137925 0.76 KCNK3 (0.36) BRD4
SCHEMBL20138149 0.74 BRD4 (0.31) BRD4
SCHEMBL20137972 0.74 SLC2A1 (0.30)
SCHEMBL20138239 0.73 SLC2A1 (0.35) BTK
SCHEMBL20138218 0.70 BRD4 (0.30) BRD4

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
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 CN disclosed