SCHEMBL28877266

SCHEMBL28877266

N#Cc1nnc(-c2scc3ccccc23)c2c(F)c(F)c(F)c(F)c12

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.31
ABL1 P00519 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
FLT1 P17948 1/20 0.31
GRK5 P34947 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31
CDK8 P49336 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
PRKX P51817 1/20 0.31
NEK2 P51955 1/20 0.31
LIMK1 P53667 1/20 0.31
MAP2K1 Q02750 1/20 0.31
PRKCQ Q04759 1/20 0.31
MAP4K2 Q12851 1/20 0.31
DYRK1A Q13627 1/20 0.31
IKBKE Q14164 1/20 0.31
NTRK3 Q16288 1/20 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
SCHEMBL28877292 0.80
SCHEMBL28957870 0.73 CHEK1 (0.49) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL28877270 0.72 PIK3CA (0.38) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL28877247 0.71 ADORA2A (0.41) KDM4EALDH1A1
SCHEMBL28877259 0.71 MPL (0.34) MAPK14
SCHEMBL13261664 0.64 ALDH1A1 (0.43) ALDH1A1
SCHEMBL28877288 0.64
SCHEMBL8933988 0.61 MAPT (0.35) KDM4E
SCHEMBL4502429 0.61 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL28090843 0.60 GPR3 (0.41) KDM4EALDH1A1

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