SCHEMBL4025591

SCHEMBL4025591

COc1cccc(-c2[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)nc2-c2ccncc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
GPR119 Q8TDV5 3/20 0.47
HPGDS O60760 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK13 O15264 1/20 0.45
RAF1 P04049 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SLC2A1 P11166 1/20 0.44
CDC7 O00311 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
ABL2 P42684 1/20 0.43

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
SCHEMBL8576094 0.88 MAPK14 (0.51) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL4028810 0.88 MAPK13 (0.43) ALDH1A1MAPK13RAF1MAPK12MAPK11
SCHEMBL13810546 0.85 MAPK13 (0.46) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL8602866 0.85 USP30 (0.45) HTTKDM4EALDH1A1HPGDNPSR1
SCHEMBL3099823 0.84 HTT (0.59) HTTGPR119HPGDSKDM4EALDH1A1
SCHEMBL27538196 0.83 MAPK14 (0.47) HTTGPR119HPGDSMAPK14MEN1
SCHEMBL13810545 0.83 MAPK11 (0.53) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL4025352 0.83 CSNK1A1 (0.60) GPR119HPGDSMAPK13RAF1MAPK12
SCHEMBL4584849 0.83 CSNK1A1 (0.60) GPR119HPGDSMAPK13RAF1MAPK12
SCHEMBL17065214 0.77 HPGDS (0.47) HTTGPR119HPGDSKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 EP claimed
EP-0854870-A4 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 1999-01-07 EP claimed
EP-0854870-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 1998-07-29 EP claimed
WO-1997012876-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-04-10 WO claimed
EP-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 EP disclosed
US-6083949-A FOR TREATING CANCER IN WHICH RAF KINASE IS IMPLICATED, AS WELL AS COMPOUNDS WHICH INHIBIT, SUPPRESS OR ANTAGONIZE THE PRODUCTION OR ACTIVITY OF CYTOKINES SUCH AS INTERLEUKINS AND TUMOR NECROSIS FACTOR MERCK & CO., INC. (US) 2000-07-04 US disclosed
EP-0854870-A4 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 1999-01-07 EP disclosed
EP-0854870-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 1998-07-29 EP disclosed
WO-1997012876-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-04-10 WO disclosed