SCHEMBL3936313

SCHEMBL3936313

Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CC(C)OC(C)C4)cc3)ncc2F)n1C1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.55
CDK1 P06493 6/20 0.55
KCNH2 Q12809 6/20 0.48
CDK6 Q00534 1/20 0.45
JAK2 O60674 3/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
LRRK2 Q5S007 2/20 0.42

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
Hydrochloric Acid SCHEMBL4246520 0.99 CDK2 (0.54) CDK2CDK1KCNH2CDK6JAK2
SCHEMBL3936428 0.89 CDK2 (0.63) CDK2CDK1KCNH2JAK2JAK1
SCHEMBL13879009 0.89 CDK2 (0.60) CDK2CDK1KCNH2JAK2JAK1
SCHEMBL13878976 0.89 CDK2 (0.60) CDK2CDK1KCNH2JAK2JAK1
Hydrochloric Acid SCHEMBL4254790 0.89 CDK2 (0.62) CDK2CDK1KCNH2JAK2JAK1
Hydrochloric Acid SCHEMBL4251768 0.89 CDK2 (0.59) CDK2CDK1KCNH2JAK2JAK1
Hydrochloric Acid SCHEMBL4246172 0.88 CDK2 (0.60) CDK2CDK1KCNH2JAK2JAK1
Hydrochloric Acid SCHEMBL4246870 0.88 CDK2 (0.59) CDK2CDK1KCNH2JAK2JAK1
SCHEMBL13879008 0.88 CDK2 (0.56) CDK2CDK1KCNH2JAK2JAK1
SCHEMBL3945135 0.88 CDK2 (0.70) CDK2CDK1KCNH2CDK6JAK2

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 12 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-3741375-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-11-25 EP disclosed
US-20200323900-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2020-10-15 US disclosed
US-20170209488-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
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