SCHEMBL8339647

SCHEMBL8339647

CC(C)(C)OC(=O)NNc1ncnc2c1cnn2-c1cccc(NC(=O)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.60
▸ LMNA P02545 3/20 0.60
▸ MAPT P10636 9/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ ALPL P05186 1/20 0.50
▸ ALPI P09923 1/20 0.50
▸ ALPG P10696 1/20 0.50
▸ MAPK14 Q16539 1/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49

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
SCHEMBL8339638 0.86 GSK3B (0.62) TP53LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL8342397 0.84 GSK3B (0.57) TP53LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL8342557 0.83 MAPT (0.53) TP53LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL8344608 0.83 MAPT (0.56) TP53LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL8342652 0.82 MAPT (0.64) TP53LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL8344257 0.82 GSK3B (0.58) TP53LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL15086956 0.80 MAPT (0.52) TP53LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL13790429 0.78 MEN1 (0.60) TP53LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL8344088 0.76 GSK3B (0.80) GSK3B
SCHEMBL28393556 0.75 MAPT (0.65) TP53LMNAMAPTSMN1; SMN2ALDH1A1

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
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 — — WO disclosed
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