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SCHEMBL20036748

SCHEMBL20036748

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 19/20 0.62
▸ HCK P08631 16/20 0.62
▸ MAPK12 P53778 16/20 0.62
▸ SRC P12931 2/20 0.62
▸ TNF P01375 1/20 0.51

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
SCHEMBL12541021 0.90 MAPK14 (0.77) MAPK14HCKMAPK12SRCTNF
SCHEMBL20036749 0.88 MAPK14 (0.67) MAPK14HCKMAPK12SRCTNF
SCHEMBL14701111 0.87 MAPK14 (0.77) MAPK14HCKMAPK12SRCTNF
SCHEMBL20036726 0.85 MAPK14 (0.67) MAPK14HCKMAPK12SRCTNF
SCHEMBL20036765 0.85 MAPK14 (0.66) MAPK14HCKMAPK12SRCTNF
SCHEMBL20036727 0.84 MAPK14 (0.69) MAPK14HCKMAPK12SRCTNF
SCHEMBL20036739 0.84 MAPK14 (0.78) MAPK14HCKMAPK12SRC
SCHEMBL20036738 0.84 MAPK14 (0.78) MAPK14HCKMAPK12SRCTNF
SCHEMBL20036743 0.83 MAPK14 (0.78) MAPK14HCKMAPK12SRCTNF
SCHEMBL18593701 0.83 MAPK14 (0.61) MAPK14HCKMAPK12SRCTNF

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