SCHEMBL7767974

SCHEMBL7767974

COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(OCCN(C)C)CC2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.69
PRKD3 O94806 2/20 0.69
MAP4K4 O95819 2/20 0.69
PRKCA P17252 2/20 0.69
CSNK1A1 P48729 2/20 0.69
CSNK1D P48730 2/20 0.69
MINK1 Q8N4C8 2/20 0.69
MAP4K5 Q9Y4K4 2/20 0.69
MAPK11 Q15759 2/20 0.69
KDM4E B2RXH2 1/20 0.69
MAPK13 O15264 1/20 0.69
EGFR P00533 1/20 0.69
RAF1 P04049 1/20 0.69
CYP1A2 P05177 1/20 0.69
LCK P06239 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
FRK P42685 1/20 0.69
MAPK9 P45984 1/20 0.69

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
SCHEMBL7767969 1.00 MAPK14 (0.69) MAPK14PRKD3MAP4K4PRKCACSNK1A1
Hydrochloric Acid SCHEMBL7767916 0.99 MAPK14 (0.68) MAPK14PRKD3MAP4K4PRKCACSNK1A1
Hydrochloric Acid SCHEMBL7767914 0.99 MAPK14 (0.68) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL7767926 0.87 MAPK14 (0.90) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL7771977 0.86 MAPK14 (0.73) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL7771978 0.86 MAPK14 (0.73) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL7773635 0.84 MAPK14 (0.84) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL7767982 0.84 MAPK14 (0.84) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL8473131 0.83 MAPK14 (0.65) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL7771968 0.83 MAPK14 (0.83) MAPK14PRKD3MAP4K4PRKCACSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251914-B1 TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-06-26 US disclosed
EP-1019396-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SmithKline Beecham Corporation (US) 2000-07-19 EP disclosed
WO-1999001452-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO disclosed