SCHEMBL28654092

SCHEMBL28654092

CCCCCCCCCCn1c(C)nc2nc(Cl)nc(Cl)c21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.34
ENPP2 Q13822 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
NR2F2 P24468 1/20 0.32
MAPK1 P28482 1/20 0.32
CSNK2A1 P68400 2/20 0.31
PIM1 P11309 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
KMT2A Q03164 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
SCHEMBL28654939 1.00 TLR8 (0.34) TLR8ENPP2CYP1A2CYP2C19RECQL
SCHEMBL24476479 1.00 TLR8 (0.34) TLR8ENPP2CYP1A2CYP2C19RECQL
SCHEMBL28659861 1.00 TLR8 (0.34) TLR8ENPP2CYP1A2CYP2C19RECQL
SCHEMBL28648960 0.94 CYP1A2 (0.36) TLR8CYP1A2CYP2C19RECQLTSHR
SCHEMBL24476342 0.94 CSNK2A1 (0.34) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL24476481 0.94 CSNK2A1 (0.34) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL24476628 0.94 CSNK2A1 (0.34) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL24476352 0.92 CSNK2A1 (0.35) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL24476492 0.88 CSNK2A1 (0.31) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL24476318 0.87 TSHR (0.33) TSHRCSNK2A1PIM1CSNK2A2CSNK2B

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-113645977-A Compounds, compositions and methods for treatment of disease F-星治疗公司 2021-11-12 CN disclosed