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SCHEMBL20036739

SCHEMBL20036739

CCCCc1cc(NC(=O)Nc2ccc(OCc3ccnc(NC(=O)COC)c3)c3ccccc23)n(-c2ccc(C)cc2)n1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 19/20 0.78
▸ HCK P08631 18/20 0.78
▸ MAPK12 P53778 17/20 0.78
▸ SRC P12931 3/20 0.78
▸ GSK3A P49840 2/20 0.62
▸ SYK P43405 1/20 0.62
▸ GSK3B P49841 1/20 0.62

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
SCHEMBL20036726 0.93 MAPK14 (0.67) MAPK14HCKMAPK12SRCGSK3A
SCHEMBL19731992 0.93 MAPK14 (0.67) MAPK14HCKMAPK12SRCGSK3A
SCHEMBL20036765 0.93 MAPK14 (0.66) MAPK14HCKMAPK12SRCGSK3A
SCHEMBL14701111 0.92 MAPK14 (0.77) MAPK14HCKMAPK12SRC
SCHEMBL20036738 0.91 MAPK14 (0.78) MAPK14HCKMAPK12SRCGSK3A
SCHEMBL20036743 0.91 MAPK14 (0.78) MAPK14HCKMAPK12SRCGSK3A
SCHEMBL19388864 0.90 MAPK14 (0.78) MAPK14HCKMAPK12SRCGSK3A
SCHEMBL20036727 0.90 MAPK14 (0.69) MAPK14HCKMAPK12SRCGSK3A
SCHEMBL20036717 0.90 MAPK14 (0.69) MAPK14HCKMAPK12SRCGSK3A
SCHEMBL20036716 0.89 MAPK14 (0.66) MAPK14HCKMAPK12SRC

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