SCHEMBL7502913

SCHEMBL7502913

c1ccc(CCNc2nccc(-n3cnc4cc(-c5ccccn5)ccc43)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 13/20 0.62
MKNK2 Q9HBH9 12/20 0.62
LCK P06239 3/20 0.56
OGA O60502 2/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A2 P23975 1/20 0.47
HRH2 P25021 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
HTR5A P47898 1/20 0.47
HTR6 P50406 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL7497560 0.90 MKNK1 (0.64) MKNK1MKNK2LCKOGAADRA2B
SCHEMBL7499363 0.90 MKNK1 (0.67) MKNK1MKNK2LCKOGAADRA2B
SCHEMBL7509636 0.90 MKNK1 (0.59) MKNK1MKNK2LCKOGAADRA2B
SCHEMBL7502691 0.89 MKNK1 (0.61) MKNK1MKNK2LCKOGAADRA2B
SCHEMBL7510554 0.88 LCK (0.66) MKNK1MKNK2LCKADRA2BADRA2C
SCHEMBL7503404 0.88 MKNK1 (0.59) MKNK1MKNK2LCKOGAADRA2B
SCHEMBL7504632 0.87 MKNK2 (0.72) MKNK1MKNK2LCK
SCHEMBL7503206 0.86 MKNK2 (0.62) MKNK1MKNK2LCKOGAADRA2B
SCHEMBL7505892 0.86 MKNK1 (0.57) MKNK1MKNK2LCKOGAADRA2B
SCHEMBL7495995 0.86 MKNK1 (0.57) MKNK1MKNK2LCKOGAADRA2B

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