SCHEMBL27575997

SCHEMBL27575997

O=C(Cc1csc(NC(=O)Cc2ccccn2)n1)Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 18/20 0.60
▸ CCNE1 P24864 9/20 0.60
▸ GSK3B P49841 2/20 0.60
▸ CCNA2 P20248 7/20 0.57
▸ CCNA1 P78396 7/20 0.57
▸ CDK5 Q00535 2/20 0.55
▸ CDK5R1 Q15078 2/20 0.55
▸ CCNB2 O95067 1/20 0.55
▸ CCNE2 O96020 1/20 0.55
▸ CDK1 P06493 1/20 0.55
▸ CCNB1 P14635 1/20 0.55
▸ CCNB3 Q8WWL7 1/20 0.55
▸ GLS O94925 1/20 0.50
▸ CDK9 P50750 1/20 0.49
▸ PDE5A O76074 1/20 0.48
▸ PDE1A P54750 1/20 0.48
▸ PDE1B Q01064 1/20 0.48
▸ PDE1C Q14123 1/20 0.48

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
SCHEMBL5867802 0.89 CDK2 (0.51) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL5867894 0.86 CDK2 (0.64) CDK2CCNE1CCNA2CCNA1CDK5
SCHEMBL5867861 0.81 CDK2 (0.70) CDK2CCNE1CCNA2CCNA1CDK5
SCHEMBL5867440 0.80 CDK2 (0.66) CDK2CCNE1CCNA2CCNA1CDK5
SCHEMBL5867759 0.80 CDK2 (0.51) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL5867826 0.76 CDK2 (0.50) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL27564788 0.76 CDK2 (0.53) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL25334570 0.75 CDK2 (0.66) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL22312373 0.75 CDK2 (1.00) CDK2CCNE1GSK3B
SCHEMBL22286843 0.75 CCNE1 (1.00) CDK2CCNE1GSK3B

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
CN-1454091-A Immunostimulatory nucleic acids UNIV IOWA RES FOUND (US) 2003-11-05 — — CN disclosed
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