SCHEMBL2798552

SCHEMBL2798552

C=CC(=O)Nc1cc(OCC)nc(NC(=O)C=C)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 2/20 0.41
MAPK8 P45983 1/20 0.40
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
MAPK3 P27361 1/20 0.39
EGFR P00533 3/20 0.39
ADORA3 P0DMS8 4/20 0.39
ADORA2A P29274 3/20 0.39
ITK Q08881 1/20 0.38
ADORA1 P30542 2/20 0.37
CYP1A2 P05177 1/20 0.36
GSTO1 P78417 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL20278582 0.74 EGFR (0.40) EGFRITKGSTO1
SCHEMBL9640561 0.73 CYP1A2 (0.66) MAPK8ADORA3ADORA2AADORA1CYP1A2
SCHEMBL4452979 0.70 TGM2 (0.46) EGFRGSTO1
SCHEMBL2828674 0.69 EGFR (0.51) EGFRITK
SCHEMBL19911201 0.69 EGFR (0.37) EGFRITK
SCHEMBL19911204 0.68 KDM4E (0.47) MAP2K7EGFRGSTO1
SCHEMBL2799132 0.67 ADORA2A (0.46) MAPK3EGFRADORA2AITKADORA1
SCHEMBL9737603 0.66 SMN1; SMN2 (0.40) MAPK8ADORA3ADORA2ACYP1A2SMN1; SMN2
SCHEMBL25713840 0.66 EGFR (0.48) EGFRITK
SCHEMBL10397625 0.66 KMT2A (0.43) MAPK8CYP1A2SMN1; SMN2

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