SCHEMBL27594440

SCHEMBL27594440

O=C(Cc1csc(-c2ccc(F)cc2F)c1)Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.62
▸ CCNA2 P20248 11/20 0.58
▸ CCNA1 P78396 11/20 0.58
▸ CCNE1 P24864 5/20 0.52
▸ CDK5 Q00535 3/20 0.52
▸ CDK5R1 Q15078 2/20 0.52
▸ CCNB2 O95067 1/20 0.52
▸ CCNE2 O96020 1/20 0.52
▸ CDK1 P06493 1/20 0.52
▸ CCNB1 P14635 1/20 0.52
▸ CCNB3 Q8WWL7 1/20 0.52
▸ CDK9 P50750 2/20 0.49
▸ GSK3B P49841 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
SCHEMBL5868018 0.84 CDK2 (0.58) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867616 0.80 CDK2 (0.77) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867484 0.80 CDK2 (0.62) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867569 0.79 CDK2 (0.73) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867680 0.78 CDK2 (0.62) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867631 0.78 CDK2 (0.78) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867468 0.78 CDK2 (0.82) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867968 0.77 CDK2 (0.83) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867618 0.77 CDK2 (0.71) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867836 0.76 CDK2 (0.75) CDK2CCNA2CCNA1CCNE1CDK5

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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