SCHEMBL7020148

SCHEMBL7020148

COc1ccc(OC)c(CNc2ccc3c(c2)ncn3-c2ccnc(N[C@@H](C)c3ccccc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.59
JAK2 O60674 1/20 0.51
JAK3 P52333 1/20 0.51
GFER P55789 1/20 0.51
MAPT P10636 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KIT P10721 1/20 0.47
FLT3 P36888 1/20 0.47
GAA P10253 3/20 0.46
GPR55 Q9Y2T6 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7589298 1.00 LCK (0.59) LCKJAK2JAK3GFERMAPT
SCHEMBL7025234 0.94 LCK (0.59) LCKJAK2JAK3MAPTL3MBTL1
SCHEMBL7022207 0.92 LCK (0.63) LCKJAK2JAK3GFERMAPT
SCHEMBL7020378 0.89 LCK (0.63) LCKJAK2JAK3MAPTL3MBTL1
SCHEMBL7593220 0.89 LCK (0.63) LCKJAK2JAK3MAPTL3MBTL1
SCHEMBL7025004 0.88 LCK (0.59) LCKJAK2JAK3GFERMAPT
SCHEMBL7588767 0.88 LCK (0.59) LCKJAK2JAK3GFERMAPT
SCHEMBL7016843 0.87 KIT (0.64) LCKJAK2JAK3MAPTL3MBTL1
SCHEMBL7590386 0.87 KIT (0.64) LCKJAK2JAK3MAPTL3MBTL1
SCHEMBL7021145 0.87 LCK (0.61) LCKJAK2JAK3MAPTL3MBTL1

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 5 patents. 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 disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
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