SCHEMBL21119626

SCHEMBL21119626

c1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6c(-c6ccc7c(ccc8sc9ccccc9c87)n6)c6ccccc56)nc4c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.41
MAPKAPK2 P49137 6/20 0.41
TDO2 P48775 1/20 0.35
MAPT P10636 2/20 0.33
LIMK1 P53667 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
DUSP3 P51452 1/20 0.33
BLM P54132 1/20 0.33
PTPN5 P54829 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN11 Q06124 1/20 0.33
MCL1 Q07820 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAK O14976 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
SCHEMBL21119959 0.94 CDK1 (0.43) CDK1MAPKAPK2TDO2MAPTLIMK1
SCHEMBL21120247 0.90 CDK1 (0.41) CDK1MAPKAPK2TDO2MAPTLIMK1
SCHEMBL21119641 0.89 CDK1 (0.40) CDK1MAPKAPK2TDO2MAPTLIMK1
SCHEMBL21119630 0.87 LIMK1 (0.32) CDK1MAPKAPK2MAPTLIMK1PARP1
SCHEMBL21119977 0.87 LMNA (0.40) CDK1MAPKAPK2MAPTKDM4EALDH1A1
SCHEMBL21120155 0.85 CDK1 (0.32) CDK1MAPKAPK2MAPTKDM4EPARP1
SCHEMBL21119653 0.85 CDK1 (0.38) CDK1MAPKAPK2TDO2MAPTKDM4E
SCHEMBL21119791 0.85 LMNA (0.40) CDK1MAPKAPK2MAPTKDM4EALDH1A1
SCHEMBL21119865 0.84 LIMK1 (0.36) CDK1MAPKAPK2TDO2MAPTLIMK1
SCHEMBL21119608 0.81 F9 (0.36) CDK1MAPKAPK2LIMK1PARP1GPR3

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
US-11522139-B2 Organic light emitting diode LG DISPLAY CO., LTD. (KR) 2022-12-06 US disclosed
US-20190207123-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2019-07-04 US disclosed