SCHEMBL4502019

SCHEMBL4502019

CNc1ccc2c(c1)C(C)(C)C(C)=N2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDK2 Q15119 1/20 0.33
CCNE2 O96020 1/20 0.32
CDK2 P24941 1/20 0.32
CCND3 P30281 1/20 0.32
CDK6 Q00534 1/20 0.32
EGFR P00533 2/20 0.31

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
SCHEMBL4506249 0.79 MEN1 (0.45) MEN1KMT2APDK2
SCHEMBL38660687 0.77 TDP1 (0.41) MEN1KMT2ACCNE2CDK2CCND3
SCHEMBL4558101 0.76 RAB9A (0.48) MEN1KMT2APDK2
SCHEMBL2344035 0.74 MEN1 (0.39) MEN1KMT2ACCNE2CDK2CCND3
SCHEMBL31142510 0.74 MEN1 (0.39) MEN1KMT2A
SCHEMBL3418732 0.74 MEN1 (0.39) MEN1KMT2ACCNE2CDK2CCND3
SCHEMBL1714750 0.74 MEN1 (0.39) MEN1KMT2A
SCHEMBL661200 0.74 MEN1 (0.39) MEN1KMT2A
SCHEMBL10035871 0.74 MEN1 (0.39) MEN1KMT2ACCNE2CDK2CCND3
SCHEMBL5460906 0.74 MEN1 (0.38) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592188-B2 environmentally sensitive fluorescent dye covalently linked to a binding domain which has specific affinity for a target molecule; fluorescence resonance energy transfer; detecting changes in the binding, conformational change; detecting human immunodeficiency virus THE SCRIPPS RESEARCH INSTITUTE (US) 2009-09-22 US disclosed
US-20060029946-A1 Live cell biosensors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-09 US disclosed