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Sugi Predict / Compounds / SCHEMBL5757422

SCHEMBL5757422

SCHEMBL5757422

CCn1c(/C=C/c2nnn(-c3cccc(Cl)c3)n2)nnc1-c1ccncc1.OC(Cc1nnc(-c2ccncc2)n1C1CC1)c1nnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.33
▸ GRM5 P41594 2/20 0.31
▸ ALPL P05186 1/20 0.31
▸ ALPI P09923 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ GRK2 P25098 1/20 0.31
▸ GRK5 P34947 1/20 0.31
▸ GRK3 P35626 1/20 0.31

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
SCHEMBL5757429 1.00 MAPK1 (0.33) MAPK1GRM5ALPLALPIROCK2
SCHEMBL2891125 0.87 MAPK1 (0.37) MAPK1GRM5ALPLALPI
SCHEMBL2898542 0.83 FLT3 (0.39) MAPK1GRM5
SCHEMBL2898545 0.83 FLT3 (0.39) MAPK1GRM5
SCHEMBL5741102 0.71 PKM (0.38) MAPK1GRM5ALPLALPI
SCHEMBL2897646 0.71 TACR1 (0.37) MAPK1GRM5ALPLALPI
SCHEMBL2897581 0.71 MAPK1 (0.40) MAPK1GRM5ALPLALPI
SCHEMBL2893681 0.70 GRM5 (0.56) MAPK1GRM5
SCHEMBL2895705 0.66 CYP3A4 (0.52) MAPK1ALPLALPI
SCHEMBL5754386 0.66 MAPK1 (0.41) MAPK1GRM5ALPLALPI

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 — — EP disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 — — WO disclosed