SCHEMBL3945490

SCHEMBL3945490

Cc1ncc(-c2nc(NC3CCN(CC=O)CC3)ncc2F)n1C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.39
CCNE1 P24864 6/20 0.39
CDK1 P06493 5/20 0.39
CCNB1 P14635 3/20 0.39
CCNE2 O96020 2/20 0.39
CCNB2 O95067 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK1 P28482 5/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 1/20 0.38
CDK6 Q00534 1/20 0.38
MAPK14 Q16539 4/20 0.38
MAPK8 P45983 2/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
CCNA2 P20248 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
SCHEMBL3937870 0.87 MAPK1 (0.48) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL4428042 0.84 ACHE (0.45) CDK2KCNH2MAPK1
SCHEMBL4431054 0.84 MAPK8 (0.42) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL3945478 0.84 CDK2 (0.43) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL4431115 0.84 CDK2 (0.43) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL3936364 0.84 CCNE1 (0.58) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL14092790 0.82 CDK2 (0.41) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL4433010 0.81 CDK2 (0.42) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL3938928 0.81 CDK2 (0.39) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL4428655 0.79 MAPK1 (0.47) CDK2CCNE1CDK1CCNB1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017454-A1 NEW THERAPEUTIC COMBINATION OF A GSK3 INHIBITOR AND AN A7-NICOTINIC AGONIST 960 ASTRAZENECA AB (SE) 2009-02-05 WO claimed
WO-2009017453-A1 NEW THERAPEUTIC COMBINATION OF AN ANTIPSYCHOTIC AND A GSK3 INHIBITOR 958 ASTRAZENECA AB (SE) 2009-02-05 WO claimed
WO-2009017455-A1 A NEW COMBINATION OF (A) AN ALPHA-4-BETA-2 -NEURONAL NICOTINIC AGONIST AND (B) A GSK3 INHIBITOR ASTRAZENECA AB (SE) 2009-02-05 WO claimed
EP-3169337-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-05-24 EP disclosed
WO-2016207366-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-12-29 WO disclosed
WO-2016008966-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-01-21 WO disclosed
WO-2009017454-A1 NEW THERAPEUTIC COMBINATION OF A GSK3 INHIBITOR AND AN A7-NICOTINIC AGONIST 960 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2009017455-A1 A NEW COMBINATION OF (A) AN ALPHA-4-BETA-2 -NEURONAL NICOTINIC AGONIST AND (B) A GSK3 INHIBITOR ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2009017453-A1 NEW THERAPEUTIC COMBINATION OF AN ANTIPSYCHOTIC AND A GSK3 INHIBITOR 958 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed