SCHEMBL4552964

SCHEMBL4552964

Brc1ccc2[nH]c3c(c2c1)CCNc1ccccc1-3

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.62
CCNB2 O95067 13/20 0.62
CCNB1 P14635 13/20 0.62
CCNB3 Q8WWL7 13/20 0.62
GSK3B P49841 14/20 0.62
CDK5 Q00535 9/20 0.62
CDK5R1 Q15078 9/20 0.62
MAPT P10636 3/20 0.62
GSK3A P49840 3/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
MAPK1 P28482 2/20 0.62
ABL1 P00519 2/20 0.62
LCK P06239 2/20 0.62
FYN P06241 2/20 0.62
PIM1 P11309 2/20 0.62
CCNA2 P20248 2/20 0.62
CDK2 P24941 2/20 0.62
FLT4 P35916 2/20 0.62
CSNK2A1 P68400 2/20 0.62

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
SCHEMBL272876 0.84 MEN1 (0.61) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL29908708 0.84 MEN1 (0.61) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL20524901 0.84 CDK5 (0.62) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL20524909 0.82 GSK3B (0.65) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL12249832 0.79 CDK1 (0.84) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL29855719 0.77 MAPT (0.69) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL5263677 0.77 MAPT (0.69) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL1394643 0.77 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
Kenpaullone SCHEMBL79889 0.76 GSK3B (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL5688609 0.76 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4168536-A1 METHODS AND COMPOSITIONS FOR CULTIVATING PLURIPOTENT CELL SUSPENSIONS Life Technologies Corporation (US) 2023-04-26 EP claimed
WO-2021262663-A1 METHODS AND COMPOSITIONS FOR CULTIVATING PLURIPOTENT CELL SUSPENSIONS Life Technologies Corporation (US) 2021-12-30 WO claimed
EP-3600259-A1 NOVEL PHARMACEUTICAL FORMULATIONS CONTAINING INDIRUBIN AND DERIVATIVES THEREOF AND METHODS OF MAKING AND USING THE SAME Phosphorex, Inc. (US) 2020-02-05 EP disclosed
WO-2018183631-A1 NOVEL PHARMACEUTICAL FORMULATIONS CONTAINING INDIRUBIN AND DERIVATIVES THEREOF AND METHODS OF MAKING AND USING THE SAME PHOSPHOREX, INC. (US) 2018-10-04 WO disclosed
EP-2076288-A2 COMBINATION COMPRISING AN HMG-COA REDUCTASE INHIBITOR AND A SECOND NEUROGENIC AGENT FOR TREATING A NERVOUS SYSTEM DISORDER AND INCREASING NEUROGENESIS Braincells, Inc. (US) 2009-07-08 EP disclosed
EP-2066355-A2 COMBINATION COMPRISING A PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGENT AND A SECOND NEUROGENIC AGENT FOR TREATING A NERVOUS SYSTEM DISORDER, INCREASING NEURODIFFERENTIATION AND INCREASING NEUROGENESIS Braincells, Inc. (US) 2009-06-10 EP disclosed
WO-2008039863-A2 COMPOSITION COMPRISING A MELANOCORTIN RECEPTOR (MCR) MODULATING AGENT ALONE OR IN COMBINATION WITH A SECOND NEUROGENIC AGENT FOR TREATING NERVOUS SYSTEM DISORDERS BRAINCELLS, INC. (US) 2008-04-03 WO disclosed
WO-2008036678-A2 COMBINATION COMPRISING A PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGENT AND A SECOND NEUROGENIC AGENT FOR TREATING A NERVOUS SYSTEM DISORDER, INCREASING NEURODIFFERENTIATION AND INCREASING NEUROGENESIS BRAINCELLS, INC. (US) 2008-03-27 WO disclosed
WO-2008036846-A2 COMBINATION COMPRISING AN HMG-COA REDUCTASE INHIBITOR AND A SECOND NEUROGENIC AGENT FOR TREATING A NERVOUS SYSTEM DISORDER AND INCREASING NEUROGENESIS BRAINCELLS, INC. (US) 2008-03-27 WO disclosed
WO-1999065910-A9 FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS US HEALTH (US) 2000-03-16 WO disclosed