SCHEMBL19802902

SCHEMBL19802902

C1=CC(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cccc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)c6)cc5c34)n2)=CCC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.34
PLA2G4A P47712 4/20 0.34
PLA2G10 O15496 1/20 0.34
PRKDC P78527 3/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL19802695 0.99 PLA2G2A (0.34) PLA2G2APLA2G4APLA2G10PRKDCPIM1
SCHEMBL26899558 0.99 PLA2G2A (0.34) PLA2G2APLA2G4APLA2G10PRKDCPIM1
SCHEMBL20962512 0.95 PIM1 (0.35) PLA2G2APLA2G4APLA2G10PRKDCPIM1
SCHEMBL24427482 0.94 PIM1 (0.35) PLA2G2APLA2G4APLA2G10PIM1CSNK2A2
SCHEMBL27318727 0.94 PIM1 (0.34) PLA2G2APLA2G4APLA2G10PRKDCPIM1
SCHEMBL19802630 0.94 PLA2G2A (0.34) PLA2G2APLA2G4APLA2G10PRKDCPIM1
SCHEMBL24972690 0.93 PLA2G2A (0.33) PLA2G2APLA2G4APLA2G10PRKDC
SCHEMBL24315437 0.92 KDM4E (0.34) PLA2G2APLA2G4APLA2G10L3MBTL1
SCHEMBL26321825 0.92 PLA2G2A (0.34) PLA2G2APLA2G4APLA2G10PRKDCPIM1
SCHEMBL24656267 0.92 PLA2G2A (0.34) PLA2G2APLA2G4APLA2G10PRKDCPIM1

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-2018016742-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2018-01-25 WO disclosed