SCHEMBL5496458

SCHEMBL5496458

Brc1ccc2ncncc2c1.COC(=O)c1ccc(C)c(-c2ccc3ncncc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
POLQ O75417 1/20 0.43
CSNK2A1 P68400 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
MAPK14 Q16539 8/20 0.41
LCK P06239 7/20 0.41
KDR P35968 7/20 0.41
CSF1R P07333 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
FGFR4 P22455 1/20 0.40
PLAU P00749 1/20 0.39
EGFR P00533 1/20 0.39
JAK3 P52333 6/20 0.39
TEK Q02763 2/20 0.39

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
SCHEMBL5491447 0.94 POLQ (0.47) POLQCSNK2A1ALOX15HTTMAPK14
SCHEMBL5495516 0.81 GRIK1 (0.48) POLQMAPK14LCKKDRCSF1R
SCHEMBL14692057 0.79 HTT (0.61) CSNK2A1ALOX15HTTLCKCYP19A1
SCHEMBL17653046 0.77 LCK (0.48) ALOX15HTTMAPK14LCKKDR
SCHEMBL5490221 0.77 MAPK14 (0.50) MAPK14LCKKDRCSF1RCYP19A1
SCHEMBL5494888 0.76 LCK (0.60) MAPK14LCKKDRFGFR4JAK3
SCHEMBL17653016 0.75 LCK (0.44) ALOX15HTTMAPK14LCKKDR
SCHEMBL11949445 0.73 ALOX15 (0.54) MMP9POLQALOX15HTTCYP19A1
SCHEMBL30507829 0.71 CSNK2A1 (0.59) CSNK2A1ALOX15HTTLCKCYP19A1
SCHEMBL18614408 0.71 CSNK2A1 (0.59) CSNK2A1ALOX15HTTLCKCYP19A1

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-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed