SCHEMBL12954468

SCHEMBL12954468

Bc1cnn2c(NCc3cccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)c3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.51
▸ GSK3B P49841 5/20 0.51
▸ EPHB4 P54760 1/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ KCNH2 Q12809 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38
▸ BLM P54132 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ S100A4 P26447 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ EIF4H Q15056 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ AURKB Q96GD4 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
SCHEMBL14301776 0.93 CDK2 (0.51) CDK2GSK3BEPHB4AURKARPS6KB1
SCHEMBL12954120 0.92 CDK2 (0.49) CDK2GSK3BEPHB4RAB9AAURKA
SCHEMBL13289245 0.92 CDK2 (0.49) CDK2GSK3BEPHB4RAB9AMEN1
SCHEMBL14301775 0.91 CDK2 (0.49) CDK2GSK3BAURKAAURKB
SCHEMBL13289563 0.91 CDK2 (0.50) CDK2GSK3BEPHB4MEN1KMT2A
SCHEMBL13121781 0.91 CDK2 (0.64) CDK2GSK3B
SCHEMBL13289340 0.90 CDK2 (0.48) CDK2GSK3BRAF1
SCHEMBL12954205 0.90 CDK2 (0.49) CDK2GSK3BEPHB4AURKAPDPK1
SCHEMBL13289332 0.90 CDK2 (0.51) CDK2GSK3BMAPT
SCHEMBL13289326 0.90 CDK2 (0.47) CDK2GSK3BEPHB4MEN1MAPT

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-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
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