Sugi Predict

Sugi Predict / Compounds / SCHEMBL22115000

SCHEMBL22115000

SCHEMBL22115000

C=N/C(=N\C(=N/Cc1ccccc1)c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)ccc2-3)c1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 8/20 0.36
▸ GRIN2B Q13224 4/20 0.36
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ GRIN3A Q8TCU5 1/20 0.31
▸ TDP2 O95551 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
SCHEMBL20220264 0.88 PDK2 (0.36) PDK2GRIN2B
SCHEMBL21882495 0.87 PDK2 (0.34) PDK2GRIN2B
SCHEMBL21010646 0.86 GRIN2B (0.36) PDK2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL21230782 0.82 GRIN2D (0.33) PDK2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL20832170 0.81 PDK2 (0.37) PDK2
SCHEMBL25550537 0.80 PDK2 (0.39) PDK2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL20617241 0.80 GRIN2B (0.44) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL25945322 0.80 MMP12 (0.42) PDK2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL26520428 0.78 GRIN2B (0.39) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL26520226 0.78 TDP2 (0.37) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A

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
EP-3667749-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2020-06-17 — — EP disclosed
Send feedback