SCHEMBL7084950

SCHEMBL7084950

CC1(C)C=C(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccccc3)n2)C(C)(C)C=N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.54
GSK3B P49841 2/20 0.47
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
BRD4 O60885 2/20 0.44
BRDT Q58F21 2/20 0.44
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
PIK3CA P42336 2/20 0.41
PIK3CG P48736 2/20 0.41
PIK3CB P42338 1/20 0.41
EIF2AK2 P19525 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
KDR P35968 1/20 0.40
PLK1 P53350 1/20 0.40
PTK2 Q05397 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
SCHEMBL6793163 0.81 MAPK14 (0.64) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6791206 0.78 MAPK14 (0.57) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6798108 0.75 MAPK14 (0.54) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6790550 0.75 MAPK14 (0.64) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6955789 0.73 MAPK14 (0.73) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL7047821 0.72 MAPK14 (0.61) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6794576 0.71 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL6791353 0.70 MAPK14 (0.84) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL6957344 0.70 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL6795873 0.70 MAPK14 (0.49) MAPK14GSK3BMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831830-B1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed