SCHEMBL22698448

SCHEMBL22698448

c1ccc(-c2nc(-c3ccccc3)nc(-c3cncc4oc5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c34)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.33
WEE1 P30291 1/20 0.32
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
PIM1 P11309 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
CCNE2 O96020 2/20 0.31
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
GSK3B P49841 2/20 0.31

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
SCHEMBL22698394 0.95 PDK2 (0.31) PDK2WEE1MEN1MAPTKMT2A
SCHEMBL17252450 0.89 PDK2 (0.34) PDK2WEE1PLA2G2APLA2G4APIM1
SCHEMBL24794369 0.88 PDK2 (0.36) PDK2WEE1PLA2G2APLA2G4APIM1
SCHEMBL22140848 0.88 PLA2G2A (0.36) PDK2WEE1PLA2G2APLA2G4APIM1
SCHEMBL29918853 0.88 PLA2G2A (0.36) PDK2WEE1PLA2G2APLA2G4APIM1
SCHEMBL24795033 0.88 PLA2G2A (0.36) PDK2WEE1PLA2G2APLA2G4APIM1
SCHEMBL24794522 0.88 PDK2 (0.36) PDK2WEE1PLA2G2APLA2G4APIM1
SCHEMBL24795766 0.88 PDK2 (0.36) PDK2WEE1PLA2G2APLA2G4APIM1
SCHEMBL24794905 0.88 PDK2 (0.36) PDK2WEE1PLA2G2APLA2G4APIM1
SCHEMBL25813725 0.88 PDK2 (0.36) PDK2WEE1PLA2G2APLA2G4APIM1

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
WO-2019212287-A9 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed