SCHEMBL25813725

SCHEMBL25813725

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc(-c8ccc9c(c8)C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)cc7)cc6c45)n3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.36
PLA2G2A P14555 3/20 0.35
PLA2G4A P47712 3/20 0.35
PIM1 P11309 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
PLA2G10 O15496 1/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
TBK1 Q9UHD2 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
SCHEMBL24795766 1.00 PDK2 (0.36) PDK2PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL24794369 1.00 PDK2 (0.36) PDK2PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL24794905 1.00 PDK2 (0.36) PDK2PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL24794522 1.00 PDK2 (0.36) PDK2PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL24795709 0.99 PDK2 (0.36) PDK2PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL24795767 0.99 PDK2 (0.36) PDK2PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL24794292 0.99 PDK2 (0.36) PDK2PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL24794624 0.99 PDK2 (0.36) PDK2PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL24795338 0.99 PDK2 (0.36) PDK2PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL24795777 0.99 PDK2 (0.36) PDK2PLA2G2APLA2G4APIM1CSNK2A2

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
EP-4055641-B1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-07-19 EP disclosed