SCHEMBL7697247

SCHEMBL7697247

COc1ccc(CCNc2nc3cc4ccccc4cc3nc2Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.48
MAPK13 O15264 5/20 0.48
MAPK12 P53778 5/20 0.48
MAPK11 Q15759 5/20 0.48
NTRK1 P04629 2/20 0.44
NTRK2 Q16620 1/20 0.44
JAK2 O60674 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 1/20 0.41
ACP1 P24666 1/20 0.41
MAPK9 P45984 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL7696568 0.92 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7693916 0.87 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7697558 0.85 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7692071 0.85 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7696799 0.83 JAK2 (0.45) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7691825 0.82 JAK2 (0.46) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7700746 0.82 JAK2 (0.48) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL7700675 0.81 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7692769 0.80 KDM4E (0.49) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL7699335 0.79 ACP1 (0.55) KDM4EMAPTHPGDACP1KMT2A

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
WO-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO disclosed