SCHEMBL8103022

SCHEMBL8103022

Fc1ccc2nc(NC3CCCCC3)c3nccn3c2c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 18/20 0.71
MAST3 O60307 2/20 0.54
MAPK9 P45984 1/20 0.52
IKBKB O14920 1/20 0.47

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
SCHEMBL8111037 0.99 MAPK8 (0.69) MAPK8MAST3MAPK9IKBKB
SCHEMBL8112512 0.86 MAPK8 (0.71) MAPK8
SCHEMBL8102748 0.85 MAPK8 (0.69) MAPK8
SCHEMBL8102950 0.84 MAPK8 (0.65) MAPK8MAST3MAPK9
SCHEMBL8117091 0.83 MAPK8 (1.00) MAPK8
SCHEMBL8118642 0.82 MAPK8 (0.97) MAPK8
SCHEMBL8111186 0.81 MAPK8 (0.67) MAPK8MAST3
SCHEMBL8112516 0.80 MAPK8 (0.65) MAPK8MAST3
SCHEMBL5359648 0.74 ADORA1 (0.51) MAPK8
SCHEMBL121472 0.72 HTR3E (0.45) MAPK8MAST3MAPK9IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124287-A TREATING DEPRESSION BIOMEDICA FOSCAMA INDUSTRIA CHIMICOFARMACEUTICA S.P.A. (IT) 2000-09-26 US disclosed
EP-0865442-B1 IMIDAZO[1,2-a]QUINOXALIN-4-AMINES ACTIVE AS ADENOSINE ANTAGONISTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF FOSCAMA BIOMED CHIM FARMA (IT) 2000-07-05 EP disclosed