SCHEMBL7688263

SCHEMBL7688263

Cc1cccc(C)c1-c1ncc(N)c(-c2c(-c3ccccc3F)ncn2C2CCNCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.42
MAPK11 Q15759 4/20 0.41
BRD4 O60885 3/20 0.41
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
PRKD3 O94806 2/20 0.40
MAP4K4 O95819 2/20 0.40
PRKACA P17612 2/20 0.40
CSNK1A1 P48729 2/20 0.40
CSNK1D P48730 2/20 0.40
MINK1 Q8N4C8 2/20 0.40
MAP4K5 Q9Y4K4 2/20 0.40
RIPK2 O43353 1/20 0.40
DYRK3 O43781 1/20 0.40
PRKCG P05129 1/20 0.40
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
PIM1 P11309 1/20 0.40
MAPK1 P28482 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
SCHEMBL6907208 0.86 MAPK14 (0.57) MAPK14MAPK11BRD4MAPK13MAPK12
SCHEMBL7688265 0.84 MAPK14 (0.45) MAPK14MAPK11BRD4MAPK13MAPK12
SCHEMBL7058351 0.76 MAPK14 (0.55) MAPK14MAPK11BRD4MAPK13MAPK12
SCHEMBL4098093 0.74 MAPK14 (0.71) MAPK14MAPK11MAPK13MAPK12PRKD3
SCHEMBL7720179 0.72 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12PRKD3
SCHEMBL6907211 0.72 MAPK14 (0.61) MAPK14MAPK11BRD4MAPK13MAPK12
SCHEMBL7722180 0.66 MAPK14 (0.53) MAPK14MAPK11BRD4MAPK13MAPK12
SCHEMBL7058352 0.64 MAPK14 (0.60) MAPK14MAPK11BRD4MAPK13MAPK12
SCHEMBL16827960 0.63 RXFP1 (0.43) MAPK14MAPK11MAPK13MAPK12
SCHEMBL7767922 0.62 MAPK14 (0.63) MAPK14MAPK11BRD4MAPK13MAPK12

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-6335340-B1 REACTING POLYMER BOUND 2-THIOPYRIMIDINE-4-YL IMINE WITH AN ISONITRILE; OXIDATION TO SULFONE OR SULFOXIDE TO RELEASE; AMINATION; ADMINISTERING AS CYTOKINE, INTERLEUKIN, AND TUMOR NECROSIS INHIBITORS SMITHKLINE BEECHAM CORPORATION 2002-01-01 US disclosed