SCHEMBL14043168

SCHEMBL14043168

C=C(Nc1cccc(CNc2cc(-c3ccccc3O)nc3c(C)cnn23)c1)c1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ GSK3B P49841 8/20 0.43
▸ CDK2 P24941 10/20 0.41
▸ CCNE1 P24864 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 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
SCHEMBL14050875 0.85 GSK3B (0.43) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL14043196 0.84 GSK3B (0.42) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL13305626 0.82 CDK2 (0.62) GSK3BCDK2CCNE1
SCHEMBL12954361 0.81 GSK3B (0.42) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL12953809 0.80 RAB9A (0.43) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL14301781 0.80 RET (0.46) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL14301243 0.80 GSK3B (0.48) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL13305690 0.79 CDK2 (0.53) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL14418832 0.78 KCNK3 (0.41) KMT2AMEN1NPC1RAB9AGSK3B
SCHEMBL12953974 0.77 SIRT2 (0.40) KMT2AMEN1GSK3BCDK2CCNE1

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-2008130570-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
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