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Sugi Predict / Compounds / SCHEMBL20036719

SCHEMBL20036719

SCHEMBL20036719

CCCCc1cc(NC(=O)Nc2ccc(OCc3ccnc(N)n3)c3ccccc23)n(-c2ccc(C)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 19/20 0.56
▸ MAPK12 P53778 16/20 0.56
▸ HCK P08631 14/20 0.56
▸ SRC P12931 2/20 0.54
▸ TNF P01375 1/20 0.53
▸ MAPK13 O15264 1/20 0.51
▸ MAPK11 Q15759 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
SCHEMBL19841213 0.88 MAPK14 (0.68) MAPK14MAPK12HCKSRCTNF
SCHEMBL2409057 0.87 MAPK14 (0.70) MAPK14MAPK12HCKSRCTNF
SCHEMBL14701082 0.84 MAPK14 (0.60) MAPK14MAPK12HCKSRCTNF
SCHEMBL14701111 0.84 MAPK14 (0.77) MAPK14MAPK12HCKSRCTNF
SCHEMBL19102004 0.83 MAPK14 (0.61) MAPK14MAPK12HCKSRC
SCHEMBL20036726 0.83 MAPK14 (0.67) MAPK14MAPK12HCKSRCTNF
SCHEMBL20036765 0.82 MAPK14 (0.66) MAPK14MAPK12HCKSRCTNF
SCHEMBL20036743 0.82 MAPK14 (0.78) MAPK14MAPK12HCKSRCTNF
SCHEMBL20060621 0.82 GSK3A (0.64) MAPK14MAPK12HCKSRC
SCHEMBL20036740 0.82 MAPK14 (0.61) MAPK14MAPK12HCKSRCTNF

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