SCHEMBL30596261

SCHEMBL30596261

CCOc1nc(Cl)cc2c1cnn2C(CC)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.59
PDE4B Q07343 2/20 0.59
KDM4E B2RXH2 1/20 0.41
KMO O15229 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC8 Q9BY41 4/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL30596272 0.88 PDE4D (0.59) PDE4DPDE4BKDM4EKMOMEN1
SCHEMBL30596249 0.78 PDE4D (0.77) PDE4DPDE4BKDM4EKMOMEN1
SCHEMBL30596251 0.76 PDE4D (0.61) PDE4DPDE4BKDM4EMEN1KMT2A
SCHEMBL30596254 0.73 PDE4D (1.00) PDE4DPDE4BKMOMEN1KMT2A
SCHEMBL30596265 0.73 PDE4D (0.71) PDE4DPDE4BKMOMEN1KMT2A
SCHEMBL30596264 0.69 PDE4D (0.61) PDE4DPDE4BKDM4EMAPK1MEN1
SCHEMBL30596250 0.68 PDE4D (1.00) PDE4DPDE4B
SCHEMBL30596266 0.68 PDE4D (0.49) PDE4DPDE4BKDM4ELMNAMEN1
SCHEMBL1199027 0.66 ALDH1A1 (0.48) KDM4ELMNAMEN1KMT2AGAA
SCHEMBL16965743 0.66 PDE4D (0.47) PDE4DPDE4BKDM4EKMT2A

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-116836162-A Pyrazolo [4,3-c ] pyridine compound or pharmaceutically acceptable salt thereof and application thereof 南方医科大学 2023-10-03 CN disclosed