SCHEMBL7696568

SCHEMBL7696568

COc1ccc(CCNc2nc3cc4ccccc4cc3nc2Nc2cc(C(C)(C)C)nn2-c2cccc(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.41
MAPK13 O15264 4/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
MAPT P10636 3/20 0.39
ACP1 P24666 1/20 0.39
NTRK1 P04629 2/20 0.38
POLB P06746 1/20 0.38
NTRK2 Q16620 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
BRAF P15056 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRK6 P43250 1/20 0.36

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
SCHEMBL7697247 0.92 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL7700675 0.91 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL7697861 0.84 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL7697564 0.84 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7693923 0.84 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7694572 0.83 MAPT (0.39) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL7691136 0.82 BRAF (0.46) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7690441 0.81 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7693916 0.81 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7697558 0.79 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11NTRK1

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