SCHEMBL7586650

SCHEMBL7586650

COc1cccc(C(=O)Nc2ccc3c(c2)ncn3-c2ccnc(NC(C)c3ccccc3)n2)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.59
JAK2 O60674 1/20 0.51
JAK3 P52333 1/20 0.51
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
ADRA2B P18089 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MCL1 Q07820 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
HCRTR1 O43613 1/20 0.45
KMT2A Q03164 1/20 0.45
MKNK1 Q9BUB5 2/20 0.44

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
SCHEMBL7023777 1.00 LCK (0.59) LCKJAK2JAK3MAPTSMN1; SMN2
SCHEMBL7018638 0.94 LCK (0.65) LCKJAK2JAK3MAPTSMN1; SMN2
SCHEMBL7592146 0.91 LCK (0.63) LCKJAK2JAK3SMN1; SMN2ADRA2B
SCHEMBL7019259 0.91 LCK (0.63) LCKJAK2JAK3SMN1; SMN2ADRA2B
SCHEMBL7024412 0.88 LCK (0.61) LCKJAK2JAK3SMN1; SMN2ADRA2B
SCHEMBL7019607 0.88 LCK (0.59) LCKJAK2JAK3SMN1; SMN2ADRA2B
SCHEMBL7587154 0.88 LCK (0.61) LCKJAK2JAK3SMN1; SMN2ADRA2B
SCHEMBL7555341 0.88 LCK (0.59) LCKJAK2JAK3SMN1; SMN2ADRA2B
SCHEMBL7023292 0.86 LCK (0.63) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7024987 0.86 LCK (0.68) LCKJAK2JAK3MKNK1MKNK2

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