SCHEMBL6903302

SCHEMBL6903302

Cc1n[nH]c(C)c1C([SiH3])(c1c(C)n[nH]c1C)c1c(C)n[nH]c1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
CHEK1 O14757 1/20 0.34
AKT2 P31751 1/20 0.34
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7519459 0.84 TSHR (0.35) DYRK1ACHEK1AKT2ADORA2AADORA2B
SCHEMBL9967861 0.77 DYRK1A (0.48) DYRK1ACHEK1AKT2PDE4DKDM4E
SCHEMBL21711399 0.75 DYRK1A (0.46) DYRK1ACHEK1AKT2PDE4DKDM4E
Hydrochloric Acid SCHEMBL27630122 0.73 DYRK1A (0.44) DYRK1ACHEK1AKT2PDE4DKDM4E
Hydrochloric Acid SCHEMBL715162 0.73 DYRK1A (0.44) DYRK1ACHEK1AKT2PDE4DKDM4E
Bromide SCHEMBL716095 0.73 DYRK1A (0.44) DYRK1ACHEK1AKT2PDE4DKDM4E
SCHEMBL7251319 0.73 DYRK1A (0.44) DYRK1ACHEK1AKT2PDE4DKDM4E
SCHEMBL26465681 0.73 DYRK1A (0.44) DYRK1ACHEK1AKT2PDE4DKDM4E
SCHEMBL27565875 0.67 DYRK1A (0.38) DYRK1A
SCHEMBL17561029 0.64 AKT2 (0.58) DYRK1ACHEK1AKT2PDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244517-A4 POLYMERIZATION SYSTEM WITH ORGANOSILICON COMPOUND EQUISTAR CHEM LP (US) 2004-06-30 EP disclosed
EP-1165568-A4 METAL COMPOUNDS CONTAINING NEUTRAL, MULTIDENTATE AZACYCLIC LIGANDS, CATALYSTS USING THEM, OLEFIN POLYMERIZATION METHODS USING THEM EQUISTAR CHEM LP (US) 2002-10-16 EP disclosed
EP-1244517-A1 POLYMERIZATION SYSTEM WITH ORGANOSILICON COMPOUND Equistar Chemicals L.P. (US) 2002-10-02 EP disclosed
US-6384229-B1 SILICON, TIN, GERMANIUM, OR LEAD; PYRAZOLYL, TRIAZOLYL, OR TETRAAZOLYL RING LIGAND; CATALYSTS FOR OLEFIN POLYMERIZATION EQUISTAR CHEMICALS, L.P. 2002-05-07 US disclosed
EP-1165568-A1 METAL COMPOUNDS CONTAINING NEUTRAL, MULTIDENTATE AZACYCLIC LIGANDS, CATALYSTS USING THEM, OLEFIN POLYMERIZATION METHODS USING THEM Equistar Chemicals L.P. (US) 2002-01-02 EP disclosed
WO-2001023084-A1 POLYMERIZATION SYSTEM WITH ORGANOSILICON COMPOUND EQUISTAR CHEMICALS, L.P. (US) 2001-04-05 WO disclosed
US-6180552-B1 OLEFIN POLYMERIZATION COORDINATION CATALYSTS EQUISTAR CHEMICALS, L.P. 2001-01-30 US disclosed
WO-2000059914-A1 METAL COMPOUNDS CONTAINING NEUTRAL, MULTIDENTATE AZACYCLIC LIGANDS, CATALYSTS USING THEM, OLEFIN POLYMERIZATION METHODS USING THEM EQUISTAR CHEMICALS, L.P. (US) 2000-10-12 WO disclosed
US-6093673-A USING ORGANOSILICON COMPOUND FROM PYRAZOLYL FAMILY AS EXTERNAL ADJUVANT LEADS TO INCREASED CATALYST ACTIVITY WITHOUT SACRIFICE OF STEREOREGULARITY IN POLYMERIZATION OF ALPHA OLEFINS OF THREE CARBONS OR MORE EQUISTAR CHEMICALS, LP (US) 2000-07-25 US disclosed