Sugi Predict

Sugi Predict / Compounds / SCHEMBL28453682

SCHEMBL28453682

SCHEMBL28453682

CC1(Nc2ncc(C(N)=O)c(N[C@@H]3CCC[C@H](O)C3)n2)CCOCC1.CS(=O)(=O)c1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 16/20 0.60
▸ MAPK9 P45984 7/20 0.57
▸ SYK P43405 4/20 0.49

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
SCHEMBL23244412 0.92 MAPK8 (0.69) MAPK8MAPK9SYK
SCHEMBL26762876 0.92 MAPK8 (0.69) MAPK8MAPK9SYK
SCHEMBL14658253 0.92 MAPK8 (0.69) MAPK8MAPK9SYK
SCHEMBL19366779 0.92 MAPK8 (0.69) MAPK8MAPK9SYK
SCHEMBL14658826 0.91 MAPK8 (0.67) MAPK8MAPK9SYK
SCHEMBL14658511 0.87 MAPK8 (0.74) MAPK8MAPK9SYK
SCHEMBL26762732 0.87 MAPK8 (0.74) MAPK8MAPK9SYK
SCHEMBL14658743 0.86 MAPK8 (0.73) MAPK8MAPK9SYK
SCHEMBL13735160 0.86 MAPK8 (0.66) MAPK8MAPK9SYK
SCHEMBL14658341 0.85 MAPK8 (0.64) MAPK8MAPK9SYK

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-111499580-A Substituted diaminocarboxamides and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2020-08-07 — — CN disclosed
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