SCHEMBL14043196

SCHEMBL14043196

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.42
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CDK2 P24941 11/20 0.38
▸ CCNA2 P20248 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ CCNE1 P24864 2/20 0.35

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
SCHEMBL14043168 0.84 KMT2A (0.46) GSK3BMEN1KMT2ANPC1RAB9A
SCHEMBL14050875 0.83 GSK3B (0.43) GSK3BMEN1KMT2ANPC1RAB9A
SCHEMBL12954361 0.81 GSK3B (0.42) GSK3BMEN1KMT2ANPC1RAB9A
SCHEMBL12953809 0.79 RAB9A (0.43) GSK3BMEN1KMT2ANPC1RAB9A
SCHEMBL14301781 0.79 RET (0.46) GSK3BMEN1KMT2ANPC1RAB9A
SCHEMBL14301243 0.78 GSK3B (0.48) GSK3BMEN1KMT2ANPC1RAB9A
SCHEMBL13305690 0.78 CDK2 (0.53) GSK3BMEN1KMT2ANPC1RAB9A
SCHEMBL14418832 0.77 KCNK3 (0.41) GSK3BMEN1KMT2ANPC1RAB9A
SCHEMBL12953974 0.76 SIRT2 (0.40) GSK3BMEN1KMT2ACDK2CCNE1
SCHEMBL12954353 0.76 DDR2 (0.47) MEN1KMT2ARAB9A

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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