SCHEMBL7688265

SCHEMBL7688265

Cc1cccc(C)c1-c1cnc(N)nc1-c1c(-c2ccccc2F)ncn1C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.45
MAPK11 Q15759 4/20 0.45
MAPK13 O15264 2/20 0.45
MAPK12 P53778 2/20 0.45
RIPK2 O43353 1/20 0.45
DYRK3 O43781 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PRKCG P05129 1/20 0.45
LCK P06239 1/20 0.45
LYN P07948 1/20 0.45
RET P07949 1/20 0.45
PIM1 P11309 1/20 0.45
PRKACA P17612 1/20 0.45
MAPK1 P28482 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
MAPK9 P45984 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45

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
SCHEMBL6907211 0.87 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK12RIPK2
SCHEMBL7688263 0.84 MAPK14 (0.42) MAPK14MAPK11MAPK13MAPK12RIPK2
SCHEMBL4098093 0.79 MAPK14 (0.71) MAPK14MAPK11MAPK13MAPK12RIPK2
SCHEMBL7058352 0.75 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12RIPK2
SCHEMBL7720179 0.73 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12RIPK2
SCHEMBL6907208 0.70 MAPK14 (0.57) MAPK14MAPK11MAPK13MAPK12RIPK2
SCHEMBL7722180 0.69 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12BRD4
SCHEMBL13819564 0.65 MAPK14 (0.74) MAPK14MAPK11MAPK13MAPK12RIPK2
SCHEMBL7058351 0.64 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPK12RIPK2
SCHEMBL1640842 0.64 MAPK14 (0.80) MAPK14MAPK11MAPK13MAPK12RIPK2

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