SCHEMBL30289697

SCHEMBL30289697

Nc1nccc2c(C3CCNCC3)nc(-c3ccc(Oc4ccccc4)cc3)n12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 12/20 0.49
HTR1A P08908 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
LCK P06239 2/20 0.41
SRC P12931 2/20 0.41
TEK Q02763 1/20 0.41
BTK Q06187 2/20 0.39
MAPK14 Q16539 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL30289682 0.88 TNK2 (0.43) TNK2LCKSRCTEKMAPK14
SCHEMBL30289668 0.87 TNK2 (0.38) TNK2BTK
SCHEMBL30289731 0.87 TNK2 (0.39) TNK2
SCHEMBL30289669 0.84 TNK2 (0.38) TNK2
SCHEMBL30289603 0.83 TNK2 (0.38) TNK2BTK
SCHEMBL30289565 0.83 TNK2 (0.38) TNK2
SCHEMBL30289737 0.82 BTK (0.38) TNK2LCKSRCTEKBTK
SCHEMBL30289648 0.81 TNK2 (0.45) TNK2BTK
SCHEMBL30289644 0.80 BTK (0.47) TNK2BTK
SCHEMBL30289663 0.79 TNK2 (0.44) TNK2LCKBTKMAPK14

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-115894497-A Imidazopyrimidine compounds, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-04-04 CN disclosed