SCHEMBL7698138

SCHEMBL7698138

C[C@H](Nc1cnccc1-c1cc(C2CCNCC2)nnc1-c1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.71
MAPK13 O15264 16/20 0.71
MAPK12 P53778 16/20 0.71
MAPK11 Q15759 16/20 0.71
MAPK9 P45984 7/20 0.54
RAF1 P04049 3/20 0.54
SOS1 Q07889 1/20 0.43
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
RPS6KA3 P51812 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 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
SCHEMBL17938001 0.83 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL13819579 0.83 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7670440 0.80 MAPK14 (0.88) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7670444 0.80 MAPK14 (0.88) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7675742 0.77 MAPK11 (0.56) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7699663 0.75 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7699660 0.75 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5754048 0.72 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6172619 0.70 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6172305 0.70 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAPK9

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-6350744-B1 PYRMIDINE OR PYRIDINE DERIVATIVES; ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS; CACHEXIA TREATMENT; INTERLEUKIN AND TUMOR NECROSIS FACTOR INHIBITORS MERCK & CO., INC. 2002-02-26 US disclosed