SCHEMBL22749367

SCHEMBL22749367

CC(F)(F)c1ccc2c(Cl)ncnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
EGFR P00533 4/20 0.43
ENPP1 P22413 3/20 0.38
PARP1 P09874 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DYRK1A Q13627 1/20 0.33
AXL P30530 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
LPAR2 Q9HBW0 1/20 0.32
MAPT P10636 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
CYP1A2 P05177 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
SCHEMBL29416609 0.86 PARP1 (0.49) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL857761 0.86 PARP1 (0.49) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL22749457 0.77 POLB (0.34) PARP1ALDH1A1MAPT
SCHEMBL19890011 0.77 AAK1 (0.40) EGFRPARP1DYRK1AMAPTCYP1A2
SCHEMBL25630850 0.76 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL856083 0.73 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL856547 0.73 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL29461277 0.73 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL686704 0.72 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL29416410 0.72 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DALDH1A1

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-2020246488-A1 COMPOUND STABILIZING COMPLEX CONTAINING NuMA1 AND CKAP5 第一三共株式会社 2020-12-10 WO disclosed
WO-2020246487-A1 COMPOUNDS HAVING DISPIRO DIKETOPIPERAZINE STRUCTURE 第一三共株式会社 2020-12-10 WO disclosed