SCHEMBL6578659

SCHEMBL6578659

Cc1cc(F)cc(C)c1Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.78
BRDT Q58F21 4/20 0.78
MAPK14 Q16539 15/20 0.78
BRD2 P25440 1/20 0.78
BRD3 Q15059 1/20 0.78
PRKD3 O94806 2/20 0.65
MAP4K4 O95819 2/20 0.65
PRKACA P17612 2/20 0.65
CSNK1A1 P48729 2/20 0.65
CSNK1D P48730 2/20 0.65
MINK1 Q8N4C8 2/20 0.65
MAP4K5 Q9Y4K4 2/20 0.65
MAPK13 O15264 1/20 0.65
RIPK2 O43353 1/20 0.65
DYRK3 O43781 1/20 0.65
PRKCG P05129 1/20 0.65
LCK P06239 1/20 0.65
LYN P07948 1/20 0.65
RET P07949 1/20 0.65
PIM1 P11309 1/20 0.65

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
SCHEMBL6785832 0.93 MAPK14 (0.76) BRD4BRDTMAPK14BRD2BRD3
SCHEMBL6576557 0.90 BRD4 (0.77) BRD4BRDTMAPK14BRD2BRD3
SCHEMBL6578767 0.89 BRD4 (0.80) BRD4BRDTMAPK14BRD2BRD3
SCHEMBL22730369 0.88 MAPK14 (0.85) BRD4BRDTMAPK14BRD2BRD3
SCHEMBL22730405 0.88 BRD4 (1.00) BRD4BRDTMAPK14BRD2BRD3
SCHEMBL22730357 0.88 MAPK14 (1.00) BRD4BRDTMAPK14BRD2BRD3
SCHEMBL1640306 0.86 MAPK14 (1.00) BRD4BRDTMAPK14BRD2BRD3
SCHEMBL6581980 0.84 MAPK14 (1.00) BRD4BRDTMAPK14BRD2BRD3
SCHEMBL6578676 0.84 MAPK14 (0.73) BRD4BRDTMAPK14BRD2BRD3
SCHEMBL13167691 0.84 MAPK14 (0.81) BRD4BRDTMAPK14BRD2BRD3

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
EP-0961618-B1 5-Pyrimidinyl-4-yl-Imidazole Derivate zur Behandlung von CSBP/RK/p38 vermittelten Erkrankungen SMITHKLINE BEECHAM CORP (US) 2004-08-04 EP claimed
US-6369068-B1 Amino substituted pyrimidine containing compounds SMITHKLINE BEECHAM CORPORATION 2002-04-09 US claimed