SCHEMBL7498441

SCHEMBL7498441

Nc1nccc(-c2ccc3c(c2)ncn3-c2ccnc(NCCc3cccc([N+](=O)[O-])c3)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.53
MKNK2 Q9HBH9 12/20 0.49
MKNK1 Q9BUB5 12/20 0.49
CDC7 O00311 1/20 0.41
PLK1 P53350 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7509733 0.88 MKNK2 (0.54) LCKMKNK2MKNK1
SCHEMBL7505248 0.88 MKNK2 (0.49) LCKMKNK2MKNK1
SCHEMBL7496875 0.87 LCK (0.46) LCKMKNK2MKNK1PLK1KDM4E
SCHEMBL7505052 0.87 MKNK2 (0.56) LCKMKNK2MKNK1
SCHEMBL7510554 0.87 LCK (0.66) LCKMKNK2MKNK1KDM4EALDH1A1
SCHEMBL7509006 0.86 LCK (0.43) LCKMKNK2MKNK1PLK1KDM4E
SCHEMBL7498354 0.84 MKNK2 (0.54) LCKMKNK2MKNK1ALDH1A1
SCHEMBL7505150 0.84 LCK (0.55) LCKMKNK2MKNK1PLK1KDM4E
SCHEMBL7504199 0.81 MKNK2 (0.62) LCKMKNK2MKNK1ALDH1A1
SCHEMBL7018434 0.81 LCK (0.76) LCKMKNK2MKNK1CDC7PLK1

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