SCHEMBL14545284

SCHEMBL14545284

Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(C(=O)NCc4cccc(F)c4)C3)nc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.53
▸ CHEK1 O14757 1/20 0.45
▸ CDK2 P24941 5/20 0.43
▸ LMNA P02545 1/20 0.40
▸ VNN1 O95497 1/20 0.40
▸ CCNT1 O60563 1/20 0.39
▸ CCNE1 P24864 3/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ FAAH O00519 1/20 0.39

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
SCHEMBL12954094 0.92 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL12954332 0.89 GSK3B (0.53) GSK3BCHEK1CDK2VNN1CCNE1
SCHEMBL14418843 0.88 GSK3B (0.51) GSK3BCHEK1CDK2VNN1CCNE1
SCHEMBL14418709 0.87 GSK3B (0.57) GSK3BCHEK1CDK2VNN1CCNE1
SCHEMBL14613386 0.86 GSK3B (0.57) GSK3BCHEK1CDK2CCNE1
SCHEMBL13304610 0.86 GSK3B (0.59) GSK3BCHEK1CDK2VNN1CCNE1
SCHEMBL13304611 0.86 GSK3B (0.59) GSK3BCHEK1CDK2VNN1CCNE1
SCHEMBL13305284 0.86 GSK3B (0.59) GSK3BCHEK1CDK2VNN1CCNE1
SCHEMBL14307171 0.86 GSK3B (0.53) GSK3BCHEK1CDK2VNN1CCNE1
SCHEMBL14418708 0.85 GSK3B (0.52) GSK3BCHEK1CDK2VNN1CCNE1

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-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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