SCHEMBL28540508

SCHEMBL28540508

N=C(N)c1ccc(N2C[CH]C2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.73
PRSS1 P07477 4/20 0.73
PRSS3 P35030 4/20 0.73
ST14 Q9Y5Y6 3/20 0.73
PRSS2 P07478 3/20 0.73
TMPRSS6 Q8IU80 2/20 0.73
GRIN2D O15399 1/20 0.66
GRIN3B O60391 1/20 0.66
GRIN1 Q05586 1/20 0.66
GRIN2A Q12879 1/20 0.66
GRIN2B Q13224 1/20 0.66
GRIN2C Q14957 1/20 0.66
GRIN3A Q8TCU5 1/20 0.66
ITGB3 P05106 8/20 0.51
ITGA2B P08514 8/20 0.51
LMNA P02545 2/20 0.48
PLAU P00749 2/20 0.48
MASP2 O00187 1/20 0.48
THPO P40225 1/20 0.48
APEX1 P27695 1/20 0.46

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
SCHEMBL2403330 0.84 F2 (1.00) F2PRSS1PRSS3ST14PRSS2
SCHEMBL8106249 0.81 F2 (0.89) F2PRSS1PRSS3ST14PRSS2
SCHEMBL3555044 0.79 F2 (0.85) F2PRSS1PRSS3ST14PRSS2
SCHEMBL12355710 0.79 F2 (1.00) F2PRSS1PRSS3ST14PRSS2
SCHEMBL7316048 0.76 F2 (0.75) F2PRSS1PRSS3ST14PRSS2
SCHEMBL537030 0.75 LMNA (0.77) F2PRSS1PRSS3ST14PRSS2
SCHEMBL376904 0.75 F2 (0.72) F2PRSS1PRSS3ST14PRSS2
Hydrochloric Acid SCHEMBL30999366 0.72 PRSS1 (0.78) F2PRSS1PRSS3ST14PRSS2
Hydrochloric Acid SCHEMBL392375 0.72 PRSS1 (0.78) F2PRSS1PRSS3ST14PRSS2
SCHEMBL3556883 0.70 F2 (0.55) F2PRSS1PRSS3ST14PRSS2

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-111892577-A Compounds and methods for targeted degradation of androgen receptor 阿尔维纳斯运营股份有限公司 2020-11-06 CN disclosed