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SCHEMBL20036744

SCHEMBL20036744

CCCCc1cc(NC(=O)Nc2ccc(OCC(C)(C)c3ccnc(NC(=O)COC)c3)c3ccccc23)n(-c2ccc(C)cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 18/20 0.69
▸ MAPK12 P53778 17/20 0.69
▸ HCK P08631 16/20 0.69
▸ SRC P12931 3/20 0.64
▸ GSK3A P49840 2/20 0.63
▸ SYK P43405 1/20 0.63
▸ GSK3B P49841 1/20 0.63

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
SCHEMBL12540123 0.89 MAPK14 (0.86) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20036739 0.88 MAPK14 (0.78) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL19388864 0.88 MAPK14 (0.78) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL13563511 0.84 MAPK14 (0.74) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20036733 0.83 MAPK14 (0.72) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL2531112 0.82 MAPK14 (0.73) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL12284362 0.82 MAPK14 (0.69) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20060613 0.82 MAPK12 (0.69) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20663713 0.82 MAPK14 (0.67) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL12695287 0.82 MAPK14 (1.00) 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-2509595-B1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LTD (GB) 2018-04-11 — — EP disclosed