SCHEMBL7589414

SCHEMBL7589414

Cc1cc(Cl)nc(NCCc2ccccc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
KDM4E B2RXH2 4/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 4/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
APP P05067 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
MAPK1 P28482 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 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
SCHEMBL7024590 0.89 APP (0.54) TAAR1APPHPGDADORA3ADORA2A
SCHEMBL3711426 0.86 HTT (0.63) HTTKDM4ELMNAMAPTPLA2G1B
SCHEMBL13650816 0.83 LMNA (0.51) HTTKDM4ELMNAMAPTPLA2G1B
SCHEMBL13329874 0.83 LMNA (0.66) HTTKDM4ELMNAMAPTPLA2G1B
SCHEMBL7504046 0.82 SMN1; SMN2 (0.52) HTTKDM4ELMNAMAPTAPP
SCHEMBL22151175 0.78 APP (0.64) LMNATAAR1APPSMN1; SMN2ALDH1A1
SCHEMBL6672730 0.77 CA12 (0.60) LMNAAPPBCHEACHETSHR
SCHEMBL12963418 0.77 KMT2A (0.50) HTTKDM4ELMNAMAPTSMN1; SMN2
SCHEMBL22228311 0.76 KMT2A (0.73) KDM4ESMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL13402939 0.75 HTR7 (0.59) HTTKDM4ELMNAMAPTSMN1; SMN2

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 3 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 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