SCHEMBL7715289

SCHEMBL7715289

Cc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C)CC2)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.79
CSNK1D P48730 4/20 0.61
MAPK13 O15264 3/20 0.61
MAPK12 P53778 3/20 0.61
MAPK11 Q15759 3/20 0.61
EGFR P00533 2/20 0.61
CSNK1E P49674 1/20 0.61
KCNH2 Q12809 1/20 0.61
PRKD3 O94806 3/20 0.59
MAP4K4 O95819 3/20 0.59
CSNK1A1 P48729 3/20 0.59
MINK1 Q8N4C8 3/20 0.59
MAP4K5 Q9Y4K4 3/20 0.59
LCK P06239 2/20 0.59
MAPK9 P45984 2/20 0.59
PRKD2 Q9BZL6 2/20 0.59
PRKCA P17252 2/20 0.59
KDM4E B2RXH2 1/20 0.59
RAF1 P04049 1/20 0.59
CYP1A2 P05177 1/20 0.59

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
SCHEMBL4584741 0.88 MAPK14 (1.00) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL27441160 0.86 MAPK14 (1.00) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4585943 0.86 MAPK14 (0.74) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4602366 0.85 MAPK14 (0.72) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL8162473 0.85 MAPK14 (0.72) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4585618 0.84 MAPK14 (1.00) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4915665 0.84 MAPK14 (0.80) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL7715290 0.83 MAPK14 (0.56) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4585949 0.82 MAPK14 (0.78) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4593760 0.82 MAPK14 (0.78) MAPK14CSNK1DMAPK13MAPK12MAPK11

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
US-6387898-B1 USING IMIDAZOLE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-05-14 US disclosed