SCHEMBL6608860

SCHEMBL6608860

COc1ccc(-c2cc(=O)c3cc(CC(=O)Nc4cc(C5CC5)[nH]n4)ccc3[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.64
CDK5 Q00535 2/20 0.64
CDK9 P50750 1/20 0.64
CCNA2 P20248 9/20 0.61
CCNA1 P78396 9/20 0.61
CCNE1 P24864 10/20 0.56
GSK3B P49841 7/20 0.56
CCNB2 O95067 1/20 0.54
CCNE2 O96020 1/20 0.54
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
CDK5R1 Q15078 1/20 0.54
CCNB3 Q8WWL7 1/20 0.54

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
SCHEMBL6624523 0.97 CDK2 (0.67) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL6609042 0.97 CDK2 (0.70) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL6607499 0.84 CDK2 (0.63) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL5867851 0.84 CDK2 (0.86) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL6624125 0.84 CDK2 (0.56) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL6625115 0.83 CDK2 (0.57) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL5495592 0.83 CDK2 (0.63) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL6617840 0.83 CDK2 (0.63) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL6610610 0.83 CCNA2 (0.53) CDK2CCNA2CCNA1
SCHEMBL6605544 0.82 CDK2 (0.60) CDK2CDK5CDK9CCNA2CCNA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116497-A1 Chromane derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2004-06-17 US claimed
EP-1379524-A2 CHROMANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-01-14 EP claimed
WO-2002070515-A2 CHROMANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2002-09-12 WO claimed
US-20040116497-A1 Chromane derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2004-06-17 US disclosed
EP-1379524-A2 CHROMANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-01-14 EP disclosed
WO-2002070515-A2 CHROMANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2002-09-12 WO disclosed