SCHEMBL28692736

SCHEMBL28692736

Cn1cc(-c2ncccc2C(N)=O)cn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.54
HSP90AA1 P07900 5/20 0.46
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
ROCK2 O75116 4/20 0.46
GRM2 Q14416 1/20 0.44
PIK3CD O00329 1/20 0.43
LCK P06239 1/20 0.43
BTK Q06187 1/20 0.43
PDK2 Q15119 1/20 0.42
PLAU P00749 1/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL30108210 1.00 SYK (0.54) SYKHSP90AA1MKNK1MKNK2ROCK2
SCHEMBL30263228 0.82 CAPN1 (0.46) SYKHSP90AA1ROCK2PIK3CD
SCHEMBL28694765 0.81 MAP3K7 (0.45) PARP1
SCHEMBL30108298 0.81 MAP3K7 (0.45) PARP1
SCHEMBL30965134 0.78 PIK3CD (0.59) SYKMKNK1MKNK2GRM2PIK3CD
SCHEMBL21722408 0.78 SYK (0.54) SYKHSP90AA1MKNK1MKNK2GRM2
SCHEMBL21724955 0.78 PIK3CD (0.59) SYKMKNK1MKNK2GRM2PIK3CD
SCHEMBL30108192 0.78 SYK (0.54) SYKHSP90AA1MKNK1MKNK2GRM2
SCHEMBL15408022 0.77 LCK (0.58) SYKMKNK1MKNK2GRM2PIK3CD
SCHEMBL28694745 0.76 PIM1 (0.52)

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-108368083-B Heteroaryl compounds and their use as therapeutic agents 东亚首希控股股份有限公司 2022-02-01 CN disclosed