SCHEMBL7590386

SCHEMBL7590386

COc1ccc(CNc2ccc3c(c2)ncn3-c2ccnc(NC(C)c3ccccc3)n2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.64
FLT3 P36888 2/20 0.64
LCK P06239 12/20 0.61
MEN1 O00255 2/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
JAK2 O60674 1/20 0.53
JAK3 P52333 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL7016843 1.00 KIT (0.64) KITFLT3LCKMEN1GAA
SCHEMBL7593220 0.90 LCK (0.63) KITFLT3LCKMEN1GAA
SCHEMBL7020378 0.90 LCK (0.63) KITFLT3LCKMEN1GAA
SCHEMBL7017436 0.89 LCK (0.71) LCKMEN1KMT2AJAK2JAK3
SCHEMBL7594389 0.89 LCK (0.71) LCKMEN1KMT2AJAK2JAK3
SCHEMBL7021145 0.89 LCK (0.61) KITFLT3LCKGAAJAK2
SCHEMBL7019330 0.89 LCK (0.63) KITFLT3LCKMEN1GAA
SCHEMBL7024664 0.89 LCK (0.63) KITFLT3LCKMEN1GAA
SCHEMBL7022207 0.89 LCK (0.63) KITFLT3LCKMEN1GAA
SCHEMBL7020148 0.87 LCK (0.59) KITFLT3LCKMEN1GAA

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