SCHEMBL7699660

SCHEMBL7699660

C[C@H](Nc1cc(-c2cc(C3CCN(C)CC3)nnc2-c2cccc(C(F)(F)F)c2)ccn1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.63
MAPK11 Q15759 16/20 0.63
MAPK13 O15264 15/20 0.63
MAPK12 P53778 15/20 0.63
MAPK9 P45984 7/20 0.60
RAF1 P04049 4/20 0.60
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
SRC P12931 1/20 0.49
KDR P35968 1/20 0.49
MAPK8 P45983 1/20 0.49
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46

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
SCHEMBL7699663 1.00 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7560881 0.88 MAPK14 (0.72) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7560872 0.88 MAPK14 (0.72) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7672894 0.81 MAPK14 (0.62) MAPK14MAPK11MAPK13MAPK12
SCHEMBL15946565 0.78 MAPK14 (0.85) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL17938001 0.77 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL13819579 0.77 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7670440 0.77 MAPK14 (0.88) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7670444 0.77 MAPK14 (0.88) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7560906 0.77 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12MAPK9

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