Sugi Predict

Sugi Predict / Compounds / SCHEMBL20060698

SCHEMBL20060698

SCHEMBL20060698

CCCCc1cc(NC(=O)Nc2ccc(Oc3ccnc(NC(=O)NCc4cc(C)no4)c3)c3ccccc23)n(-c2ccc(C)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 14/20 0.58
▸ MAPK12 P53778 12/20 0.58
▸ HCK P08631 10/20 0.56
▸ SRC P12931 9/20 0.56
▸ GSK3A P49840 7/20 0.56
▸ SYK P43405 7/20 0.56
▸ GSK3B P49841 1/20 0.56

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
SCHEMBL13504147 0.89 MAPK14 (0.74) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20060696 0.88 MAPK14 (0.65) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL12288114 0.87 MAPK14 (0.75) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20060597 0.87 MAPK14 (0.63) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20060691 0.86 MAPK14 (0.65) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20060660 0.85 MAPK14 (0.64) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20060606 0.85 MAPK14 (0.59) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20060580 0.85 MAPK14 (0.62) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL19388864 0.84 MAPK14 (0.78) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20060711 0.84 MAPK14 (0.65) MAPK14MAPK12HCKSRCGSK3A

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
EP-2582433-B1 UREIDO-PYRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF RHINOVIRUS INFECTIONS RESPIVERT LTD (GB) 2018-04-18 — — EP disclosed