SCHEMBL8111186

SCHEMBL8111186

Clc1cc2nc(NC3CCCCC3)c3nccn3c2cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 18/20 0.67
ALDH1A1 P00352 1/20 0.43
TOP2A P11388 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT5B Q4FZB7 1/20 0.42
KMT5C Q86Y97 1/20 0.42
MAST3 O60307 1/20 0.42

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
SCHEMBL8112516 0.99 MAPK8 (0.65) MAPK8KMT5BKMT5CMAST3
SCHEMBL8112512 0.86 MAPK8 (0.71) MAPK8
SCHEMBL8102748 0.84 MAPK8 (0.69) MAPK8
SCHEMBL8102950 0.84 MAPK8 (0.65) MAPK8MAST3
SCHEMBL8103022 0.81 MAPK8 (0.71) MAPK8MAST3
SCHEMBL8117091 0.80 MAPK8 (1.00) MAPK8ALDH1A1TOP2ASMN1; SMN2
SCHEMBL8111037 0.80 MAPK8 (0.69) MAPK8MAST3
SCHEMBL8118642 0.79 MAPK8 (0.97) MAPK8ALDH1A1TOP2ASMN1; SMN2
SCHEMBL8116946 0.75 ALDH1A1 (0.47) ALDH1A1
SCHEMBL8118650 0.72 GRIN2D (0.49) MAPK8ALDH1A1

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-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