SCHEMBL7025004

SCHEMBL7025004

COc1cccc(CNc2ccc3c(c2)ncn3-c2ccnc(N[C@@H](C)c3ccccc3)n2)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 1/20 0.59
IDE P14735 1/20 0.59
GFER P55789 1/20 0.59
HSD17B10 Q99714 1/20 0.59
THRB P10828 1/20 0.56
PKM P14618 1/20 0.56
JAK2 O60674 1/20 0.51
JAK3 P52333 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GPR55 Q9Y2T6 2/20 0.50
MEN1 O00255 1/20 0.46

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
SCHEMBL7588767 1.00 LCK (0.59) LCKMAPTKDM4EALDH1A1HPGD
SCHEMBL7022207 0.94 LCK (0.63) LCKMAPTKDM4EALDH1A1HPGD
SCHEMBL7024664 0.90 LCK (0.63) LCKMAPTKDM4EALDH1A1HPGD
SCHEMBL7589298 0.88 LCK (0.59) LCKMAPTKDM4EALDH1A1HPGD
SCHEMBL7020148 0.88 LCK (0.59) LCKMAPTKDM4EALDH1A1HPGD
SCHEMBL7025234 0.88 LCK (0.59) LCKMAPTKDM4EALDH1A1HPGD
SCHEMBL7016843 0.86 KIT (0.64) LCKMAPTKDM4EALDH1A1HPGD
SCHEMBL7590386 0.86 KIT (0.64) LCKMAPTKDM4EALDH1A1HPGD
SCHEMBL7021145 0.84 LCK (0.61) LCKMAPTKDM4EALDH1A1HPGD
SCHEMBL7594389 0.84 LCK (0.71) LCKMAPTKDM4EALDH1A1HPGD

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