SCHEMBL28448559

SCHEMBL28448559

[CH2]c1cnc(N[C@H]2CC[C@H](OC)CC2)nc1SC

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 16/20 0.51
MAPK9 P45984 6/20 0.51
MAPK3 P27361 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
RET P07949 1/20 0.39
MAPK1 P28482 1/20 0.37

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
SCHEMBL14657230 0.80 MAPK8 (0.58) MAPK8MAPK9MAPK3MAPK1
SCHEMBL14657231 0.80 MAPK8 (0.58) MAPK8MAPK9MAPK3MAPK1
SCHEMBL14657649 0.79 MAPK8 (0.69) MAPK8MAPK9
SCHEMBL14657650 0.79 MAPK8 (0.69) MAPK8MAPK9
SCHEMBL14657249 0.77 MAPK8 (0.54) MAPK8MAPK9
SCHEMBL14657251 0.77 MAPK8 (0.54) MAPK8MAPK9
SCHEMBL30873307 0.77 MAPK8 (0.54) MAPK8MAPK9
SCHEMBL30873324 0.73 MKNK1 (0.52) MAPK8MAPK9MAPK3MKNK1MKNK2
SCHEMBL28386712 0.71 MAPK8 (0.50) MAPK8MAPK9MAPK3MKNK1MKNK2
SCHEMBL6886583 0.70 MKNK1 (0.48) MAPK8MAPK9MAPK3MKNK1MKNK2

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
CN-111471021-A Substituted diaminocarboxamides and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2020-07-31 CN disclosed