SCHEMBL2239646

SCHEMBL2239646

COC(=O)c1ccc(-c2cnc3ccc(Cl)nn23)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.56
DYRK2 Q92630 11/20 0.56
DYRK1B Q9Y463 10/20 0.51
DYRK3 O43781 9/20 0.51
CDK5 Q00535 6/20 0.51
CDK5R1 Q15078 6/20 0.51
CCNA2 P20248 6/20 0.51
CDK2 P24941 6/20 0.51
CCNT1 O60563 4/20 0.51
CDK9 P50750 4/20 0.51
PIK3CA P42336 1/20 0.49
ATR Q13535 1/20 0.49
FYN P06241 5/20 0.48
MKNK1 Q9BUB5 3/20 0.48
MKNK2 Q9HBH9 1/20 0.47

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
SCHEMBL2236203 0.83 DYRK1A (0.62) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL3514282 0.82 FYN (0.66) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL3043884 0.81 FYN (0.67) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL21643914 0.80 FYN (0.63) PIK3CAATRFYN
SCHEMBL16947087 0.79 TNF (0.47) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL16331402 0.79 FYN (0.64) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL15288602 0.78 DYRK1A (0.70) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL30442968 0.77 DYRK1A (0.50) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL30444086 0.77 MKNK1 (0.48) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL2948779 0.77 DYRK1A (0.68) DYRK1ADYRK2DYRK1BDYRK3CDK5

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
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed