SCHEMBL7771997

SCHEMBL7771997

COc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@@H](N)CC2)n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.81
CSNK1D P48730 3/20 0.81
MAPK11 Q15759 3/20 0.81
PRKD3 O94806 2/20 0.81
MAP4K4 O95819 2/20 0.81
PRKCA P17252 2/20 0.81
CSNK1A1 P48729 2/20 0.81
MINK1 Q8N4C8 2/20 0.81
MAP4K5 Q9Y4K4 2/20 0.81
MAPK13 O15264 2/20 0.81
EGFR P00533 2/20 0.81
MAPK12 P53778 2/20 0.81
KDM4E B2RXH2 1/20 0.81
RAF1 P04049 1/20 0.81
CYP1A2 P05177 1/20 0.81
LCK P06239 1/20 0.81
CYP2D6 P10635 1/20 0.81
CYP2C9 P11712 1/20 0.81
CYP2C19 P33261 1/20 0.81
FRK P42685 1/20 0.81

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
SCHEMBL7771993 1.00 MAPK14 (0.81) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL7775707 1.00 MAPK14 (0.81) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL7767926 0.95 MAPK14 (0.90) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL7767982 0.92 MAPK14 (0.84) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL7773635 0.92 MAPK14 (0.84) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL7772134 0.91 MAPK14 (0.83) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL7771968 0.91 MAPK14 (0.83) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL30290594 0.90 MAPK14 (1.00) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL173596 0.90 MAPK14 (1.00) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL173595 0.90 MAPK14 (1.00) MAPK14CSNK1DMAPK11PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019396-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SmithKline Beecham Corporation (US) 2000-07-19 EP claimed
WO-1999001452-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO claimed
US-6251914-B1 TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-06-26 US disclosed
EP-1021173-A1 USE OF CSAID?TM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2000-07-26 EP disclosed
EP-1019396-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SmithKline Beecham Corporation (US) 2000-07-19 EP disclosed
WO-1999018942-A1 USE OF CSAIDTM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 1999-04-22 WO disclosed
WO-1999001452-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO disclosed