SCHEMBL7707445

SCHEMBL7707445

CN(C)C1=NC=CC(CC#N)N1c1nc2ccccc2s1.COCCNc1nccc(C(C#N)C2C=CN=C(NCCN(C)C)[N+]2(c2nc3ccccc3s2)c2nc3ccccc3s2)n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.33
MAPK9 P45984 2/20 0.33
MAPK8 P45983 1/20 0.31

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
SCHEMBL4965923 0.74 ILK (0.35)
SCHEMBL4202458 0.72 NPC1 (0.37)
SCHEMBL7707674 0.70
SCHEMBL4197422 0.70 SMN1; SMN2 (0.41)
SCHEMBL4187935 0.70 ILK (0.38)
SCHEMBL5566249 0.67 MAPK10 (0.45) MAPK10MAPK9MAPK8
SCHEMBL5613884 0.67 HTR1A (0.35)
SCHEMBL7707034 0.67 MAPK10 (0.45) MAPK10MAPK9MAPK8
SCHEMBL5613855 0.66 ALDH1A1 (0.37)
SCHEMBL4197304 0.66 ILK (0.40)

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
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP claimed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO claimed