SCHEMBL30822700

SCHEMBL30822700

O=c1c2c(Cl)cccc2ccn1-c1cc(CO)[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
MAP2K4 P45985 2/20 0.34
DHODH Q02127 1/20 0.34
HCAR2 Q8TDS4 2/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.31
GRM2 Q14416 2/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 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
SCHEMBL30822701 0.88 JAK2 (0.37) JAK2JAK1TYK2JAK3DHODH
SCHEMBL30822667 0.84 JAK2 (0.39) JAK2JAK1TYK2JAK3GAA
SCHEMBL30822652 0.81 JAK2 (0.39) JAK2JAK1TYK2JAK3DHODH
SCHEMBL30822666 0.79 JAK2 (0.37) JAK2JAK1TYK2JAK3GAA
SCHEMBL30822735 0.79 JAK2 (0.37) JAK2JAK1TYK2JAK3MAPT
SCHEMBL30822711 0.78 CCNA2 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL30822703 0.75 PIK3CD (0.40)
SCHEMBL30822687 0.75 JAK2 (0.39) JAK2JAK1TYK2JAK3ERCC5
SCHEMBL30822722 0.72 HEXA (0.36) JAK2JAK1TYK2JAK3DHODH
SCHEMBL30822710 0.71 CYP1A2 (0.40) JAK2JAK1TYK2JAK3GAA

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-117659001-A Aminopyrimidine derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-03-08 CN disclosed