SCHEMBL27595166

SCHEMBL27595166

CC1(C)C[C]1Cn1cnc2c(O)nc(N)nc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.44
CDK2 P24941 4/20 0.44
CDK1 P06493 3/20 0.44
CCNB1 P14635 3/20 0.44
HRH4 Q9H3N8 1/20 0.40
HSP90AA1 P07900 10/20 0.40
HSP90AB1 P08238 10/20 0.40
HDAC6 Q9UBN7 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38
ADORA2A P29274 1/20 0.37

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
SCHEMBL27576997 0.80 CCNE1 (0.45) CCNE1CDK2CDK1CCNB1HRH4
SCHEMBL27576995 0.78 CCNE1 (0.44) CCNE1CDK2CDK1CCNB1HRH4
SCHEMBL17860490 0.78 CCNE1 (0.71) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL2909425 0.77 CCNE1 (0.43) CCNE1CDK2CDK1CCNB1HRH4
SCHEMBL2909427 0.77 CCNE1 (0.44) CCNE1CDK2CDK1CCNB1HRH4
SCHEMBL27576990 0.74 CDK2 (0.41) CCNE1CDK2CDK1CCNB1HRH4
SCHEMBL20577001 0.74 CCNE1 (0.45) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL2911149 0.74 CDK2 (0.43) CCNE1CDK2CDK1CCNB1HRH4
SCHEMBL2910543 0.72 CCNE1 (0.43) CCNE1CDK2CDK1CCNB1HRH4
SCHEMBL14595245 0.71 ADORA2A (0.56) CCNE1CDK2CDK1CCNB1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1487949-A Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same ��ʽ����LG������ѧ 2004-04-07 CN claimed
CN-100347185-C Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCE CO LTD (KR) 2007-11-07 CN disclosed
CN-1487949-A Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same ��ʽ����LG������ѧ 2004-04-07 CN disclosed