SCHEMBL7510554

SCHEMBL7510554

Nc1nccc(-c2ccc3c(c2)ncn3-c2ccnc(NCCc3ccccc3)n2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.66
MKNK1 Q9BUB5 11/20 0.59
MKNK2 Q9HBH9 11/20 0.59
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ROCK1 Q13464 1/20 0.47
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A2 P23975 1/20 0.45
HRH2 P25021 1/20 0.45
HTR1D P28221 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45
HTR5A P47898 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL7503404 0.89 MKNK1 (0.59) LCKMKNK1MKNK2ADRA2BADRA2C
SCHEMBL7505150 0.88 LCK (0.55) LCKMKNK1MKNK2KDM4EALDH1A1
SCHEMBL7502642 0.88 MKNK1 (0.60) LCKMKNK1MKNK2ADRA2BADRA2C
SCHEMBL7502913 0.88 MKNK1 (0.62) LCKMKNK1MKNK2ADRA2BADRA2C
SCHEMBL7499363 0.87 MKNK1 (0.67) LCKMKNK1MKNK2ADRA2BADRA2C
SCHEMBL7502691 0.87 MKNK1 (0.61) LCKMKNK1MKNK2ADRA2BADRA2C
SCHEMBL7504903 0.87 MKNK1 (0.61) LCKMKNK1MKNK2ADRA2BADRA2C
SCHEMBL7498441 0.87 LCK (0.53) LCKMKNK1MKNK2KDM4EALDH1A1
SCHEMBL7500919 0.86 LCK (0.54) LCKMKNK1MKNK2KDM4EALDH1A1
SCHEMBL7497560 0.85 MKNK1 (0.64) LCKMKNK1MKNK2ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP claimed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP claimed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO claimed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed