SCHEMBL29947873

SCHEMBL29947873

N#Cc1nnc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2c(F)c(F)c(F)c(F)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PGR P06401 1/20 0.33
BCAT1 P54687 1/20 0.32
AVPR1A P37288 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ERBB2 P04626 1/20 0.31
KDR P35968 2/20 0.31
ELANE P08246 1/20 0.30
CHEK1 O14757 1/20 0.30
ABL1 P00519 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 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
SCHEMBL28877272 1.00 KDM4E (0.40) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL29947786 0.84 KDM4E (0.42) KDM4EATML3MBTL1ALDH1A1MAPK1
SCHEMBL28877240 0.84 KDM4E (0.42) KDM4EATML3MBTL1ALDH1A1MAPK1
SCHEMBL21890534 0.81 KDM4E (0.49) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL28877250 0.77 MAT2A (0.37) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL29947909 0.77 MAT2A (0.37) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL28957870 0.76 CHEK1 (0.49) MEN1KMT2AERBB2KDRCHEK1
SCHEMBL16122092 0.75 KDM4E (0.47) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL21377910 0.72 KDM4E (0.47) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL23542987 0.72 ATM (0.44) KDM4EATML3MBTL1ALDH1A1LMNA

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-115260245-A Iridium metal complex, application thereof and organic electroluminescent device 清华大学 2022-11-01 CN disclosed