SCHEMBL4026933

SCHEMBL4026933

Fc1ccc(-c2[nH]c(C3CCN(Cc4ccccc4)CC3)nc2-c2ccncc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.64
MAPK13 O15264 8/20 0.64
MAPK12 P53778 8/20 0.64
MAPK11 Q15759 8/20 0.64
RAF1 P04049 3/20 0.64
MAPK9 P45984 3/20 0.64
CSNK1A1 P48729 1/20 0.62
CSNK1D P48730 1/20 0.62
RPS6KA3 P51812 1/20 0.62
ALOX5 P09917 3/20 0.57
GCGR P47871 3/20 0.54
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
HTR2B P41595 1/20 0.50
AKT1 P31749 2/20 0.49
AKT2 P31751 2/20 0.49
AKT3 Q9Y243 1/20 0.48

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
SCHEMBL1387891 1.00 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4027146 0.86 AKT1 (0.49) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4026775 0.85 CSNK1A1 (0.70) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL1387912 0.83 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL1387706 0.82 CSNK1D (0.88) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4024836 0.82 CSNK1A1 (0.74) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL14174354 0.82 MAPK13 (0.74) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8603171 0.81 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL1387716 0.81 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL13810835 0.81 DRD2 (0.46) MAPK14MAPK13MAPK12MAPK11RAF1

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 15 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-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 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-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO claimed
WO-1997012876-A9 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY 1997-09-18 WO 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
EP-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 EP disclosed
CN-1117082-C Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 2003-08-06 CN 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-0934270-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-08-11 EP disclosed
WO-1997045412-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-12-04 WO disclosed
WO-1997012876-A9 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY 1997-09-18 WO disclosed