SCHEMBL8516657

SCHEMBL8516657

CCN(CC)C(=O)C(OC(=O)C(F)(F)F)n1cc(-c2nc3cc(Cl)c(Cl)cc3n(C(C)CN)c2=O)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
POLB P06746 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 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
SCHEMBL8516080 0.87 USP2 (0.35)
SCHEMBL8517087 0.85 USP2 (0.34)
SCHEMBL8367898 0.85 CTSB (0.31)
SCHEMBL8516522 0.85 USP2 (0.33) POLB
SCHEMBL8516687 0.84 USP2 (0.33) PDE4BPDE4D
SCHEMBL8516762 0.82 CYP1A2 (0.36) CCNT1CDK9
Trifluoroacetic Acid SCHEMBL8516655 0.82 TP53 (0.36) PDE4BPDE4DPOLB
SCHEMBL8368692 0.80 MAPT (0.35) CCNT1CDK9
SCHEMBL8365258 0.80 ALDH1A1 (0.37)
SCHEMBL8365273 0.79 BRD4 (0.37) CCNT1CDK9

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
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO claimed
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed