SCHEMBL7024612

SCHEMBL7024612

Cc1cccc(-c2cc(-n3cnc4cc(-c5ccnc(N)n5)ccc43)nc(N[C@@H](C)c3ccccc3)n2)c1O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.70
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.38
PLK1 P53350 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
CAMK2D Q13557 3/20 0.37
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36

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
SCHEMBL7575747 0.93 LCK (0.76) LCKJAK2JAK3KDM4EALDH1A1
SCHEMBL7016254 0.93 LCK (0.76) LCKJAK2JAK3KDM4EALDH1A1
SCHEMBL7020588 0.87 LCK (0.71) LCKJAK2JAK3KDM4EALDH1A1
SCHEMBL7568847 0.87 LCK (0.71) LCKJAK2JAK3KDM4EALDH1A1
SCHEMBL7016544 0.84 LCK (0.61) LCKJAK2JAK3KDM4EALDH1A1
SCHEMBL7591189 0.83 LCK (1.00) LCKJAK2JAK3KDM4EALDH1A1
SCHEMBL7018359 0.83 LCK (1.00) LCKJAK2JAK3KDM4EALDH1A1
SCHEMBL7018502 0.81 LCK (0.58) LCKJAK2JAK3KDM4EALDH1A1
SCHEMBL7576852 0.80 LCK (0.71) LCKJAK2JAK3
SCHEMBL7019097 0.80 LCK (0.71) LCKJAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP claimed