SCHEMBL28694583

SCHEMBL28694583

Nc1ncnn2c(C3CCN(C(=O)O)C3)nc(I)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 15/20 0.43
CSNK2A2 P19784 3/20 0.39
CSNK2A1 P68400 2/20 0.39
RIPK2 O43353 1/20 0.38
RET P07949 1/20 0.38
NQO2 P16083 1/20 0.38
FECH P22830 1/20 0.38
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPK10 P53779 1/20 0.38
PRKDC P78527 1/20 0.38
MAP2K5 Q13163 1/20 0.38
BMPR2 Q13873 1/20 0.38
RICTOR Q6R327 1/20 0.38
RPTOR Q8N122 1/20 0.38
PIP4K2C Q8TBX8 1/20 0.38
MAPKAP1 Q9BPZ7 1/20 0.38

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
SCHEMBL26791385 0.83 TNK2 (0.47) TNK2
SCHEMBL28626677 0.81 TNK2 (0.43) TNK2CSNK2A2CSNK2A1IGF1R
SCHEMBL397549 0.80 TNK2 (0.55) TNK2CSNK2A2RIPK2RETNQO2
SCHEMBL25168436 0.80 TNK2 (0.52) TNK2CSNK2A2RIPK2RETNQO2
SCHEMBL31391188 0.80 TNK2 (0.48) TNK2CSNK2A2RIPK2RETNQO2
SCHEMBL28911444 0.80 FGFR4 (0.49) TNK2
SCHEMBL28911445 0.80 FGFR4 (0.49) TNK2
SCHEMBL593101 0.79 TNK2 (0.51) TNK2CSNK2A2RIPK2RETNQO2
SCHEMBL15929395 0.79 TNK2 (0.48) TNK2
SCHEMBL25273305 0.77 PDE2A (0.31)

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-114075190-A Heterocyclic BTK inhibitors 北京诺诚健华医药科技有限公司 2022-02-22 CN disclosed