SCHEMBL30328461

SCHEMBL30328461

Cn1c(Cl)nc2c(cnn2CC(F)F)c1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 5/20 0.37
PDE1C Q14123 4/20 0.36
PKM P14618 6/20 0.36
PKLR P30613 6/20 0.36
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33

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
SCHEMBL25164006 0.82 KMT2A (0.39) PDE9APDE1CPKMPKLRPDE1A
SCHEMBL25165239 0.82 SMN1; SMN2 (0.40) PDE9APDE1CPDE1APDE1BTP53
SCHEMBL25163999 0.76 PDE1A (0.54) PDE9APDE1CPDE1APDE1BHPGD
SCHEMBL25165242 0.75 PDE1A (0.47) PDE9APDE1CPKMPKLRPDE1A
SCHEMBL21051432 0.74 PDE1C (0.60) PDE9APDE1CKDM4E
SCHEMBL25164020 0.73 PDE1A (0.36) PDE9APDE1CPDE1APDE1B
SCHEMBL25875979 0.72 PDE2A (0.35) PDE9A
SCHEMBL25165145 0.72 MAPT (0.38) PDE9APDE1CPDE1APDE1BTP53
SCHEMBL25165156 0.70 PDE1A (0.63) PDE1CPDE1APDE1BALDH1A1
SCHEMBL21051515 0.64 PDE1C (0.59) PDE9APDE1CPDE1APDE1B

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
EP-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 EP disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed