SCHEMBL4033810

SCHEMBL4033810

O=C(OCc1ccccc1)ON1CCC(c2nc(-c3ccncc3)c(-c3ccc(Cl)c(Cl)c3)[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 6/20 0.41
MAPK14 Q16539 6/20 0.41
MAPK13 O15264 5/20 0.41
MAPK12 P53778 5/20 0.41
RAF1 P04049 4/20 0.41
GCGR P47871 1/20 0.40
MAPK9 P45984 2/20 0.39
BRAF P15056 3/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
RPS6KA3 P51812 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
KIT P10721 1/20 0.36
TRPC3 Q13507 1/20 0.35
TRPC7 Q9HCX4 1/20 0.35

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
SCHEMBL4025068 0.89 GRIN2B (0.47) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL4027146 0.82 AKT1 (0.49) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL8603594 0.80 TMEM97 (0.42) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL4028496 0.80 NPC1 (0.46) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL4026457 0.80 DRD4 (0.51) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL4025941 0.78 DRD2 (0.47) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL4025897 0.77 MAPK14 (0.51) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL13810996 0.77 MAPK11 (0.46) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL4026568 0.76 CSNK1A1 (0.52) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL13810833 0.75 BRAF (0.47) MAPK11MAPK14MAPK13MAPK12RAF1

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 1 patent. 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