SCHEMBL2828674

SCHEMBL2828674

C=CC(=O)Nc1ccnc(NC(=O)C=C)n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.51
ITK Q08881 2/20 0.51
PTPN1 P18031 1/20 0.45
PTPN11 Q06124 1/20 0.45
TGM2 P21980 2/20 0.42
BTK Q06187 1/20 0.41
AURKA O14965 1/20 0.40

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
SCHEMBL7641546 0.77 TGM2 (0.50) EGFRITKPTPN1PTPN11TGM2
SCHEMBL174072 0.76 TGM2 (0.53) EGFRITKTGM2BTK
SCHEMBL31408897 0.75 EGFR (0.61) EGFRITKPTPN1PTPN11TGM2
SCHEMBL20278582 0.75 EGFR (0.40) EGFRITKTGM2BTK
SCHEMBL24921051 0.74 EGFR (0.41) EGFRITKPTPN1PTPN11TGM2
SCHEMBL10854771 0.74 AURKA (0.47) AURKA
SCHEMBL10399713 0.74 NR3C2 (0.45) AURKA
SCHEMBL13134210 0.74 EGFR (0.49) EGFRPTPN1PTPN11TGM2
SCHEMBL2801255 0.73 CXCR4 (0.56) EGFRITKTGM2BTK
SCHEMBL18891532 0.73 AURKA (0.42) AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750090-B2 Moleculary imprinted polymers for extraction of components from foodstruffs MIP TECHNOLOGIES AB (SE) 2010-07-06 US disclosed
US-20060292545-A1 Moleculary imprinted polymers for extraction of components from foodstruffs MIP TECHNOLOGIES AB (SE) 2006-12-28 US disclosed
EP-1594902-A1 MOLECULARY IMPRINTED POLYMERS FOR EXTRACTION OF COMPONENTS FROM FOODSTRUFFS MIP Technologies AB (SE) 2005-11-16 EP disclosed
WO-2004067578-A1 MOLECULARY IMPRINTED POLYMERS FOR EXTRACTION OF COMPONENTS FROM FOODSTRUFFS MIP TECHNOLOGIES AB (SE) 2004-08-12 WO disclosed