SCHEMBL2331408

SCHEMBL2331408

CCCC1CN(Cc2cnc3ccc(Cl)nn23)C(=O)C1I

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 4/20 0.36
ADORA2A P29274 1/20 0.35
DYRK1A Q13627 8/20 0.32
DYRK2 Q92630 8/20 0.32
DYRK3 O43781 7/20 0.32
DYRK1B Q9Y463 7/20 0.32
CDK5 Q00535 5/20 0.32
CDK5R1 Q15078 5/20 0.32
CCNA2 P20248 4/20 0.32
CDK2 P24941 4/20 0.32
CCNT1 O60563 3/20 0.32
CDK9 P50750 3/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 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
SCHEMBL5060984 0.80 TNF (0.36) TNFADORA2ADYRK1ADYRK2DYRK3
SCHEMBL2360104 0.71 TSHR (0.56) TNF
SCHEMBL13110756 0.70 TNF (0.49) TNFADORA2ADYRK1ADYRK2DYRK3
SCHEMBL16010635 0.69 TNF (0.44) TNFADORA2ADYRK1ADYRK2DYRK3
SCHEMBL3453191 0.65 TNF (0.46) TNFDYRK1ADYRK2DYRK3DYRK1B
SCHEMBL16554675 0.65 TNF (0.50) TNFADORA2ADYRK1ADYRK2DYRK3
SCHEMBL3452648 0.65 TNF (0.43) TNFADORA2ADYRK1ADYRK2DYRK3
SCHEMBL1163165 0.65 DYRK1A (0.49) TNFDYRK1ADYRK2DYRK3DYRK1B
SCHEMBL18774038 0.64 TNF (0.46) TNFADORA2ADYRK1ADYRK2DYRK3
SCHEMBL28741961 0.62 TNF (0.47) TNFADORA2ADYRK1ADYRK2DYRK3

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
EP-2533645-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2012-12-19 EP disclosed
WO-2011100373-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-08-18 WO disclosed