SCHEMBL7704531

SCHEMBL7704531

Cn1cncc1CCNc1nccc(C(C#N)c2nc3ccccc3s2)n1.N#CCC1C=CN=C(NCCN2CCCCC2)N1c1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.47
MAPK9 P45984 10/20 0.47
MAPK8 P45983 2/20 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
SCHEMBL5976514 0.93 MAPK10 (0.43) MAPK10MAPK9MAPK8
SCHEMBL2886459 0.80 MAPK10 (0.70) MAPK10MAPK9MAPK8
SCHEMBL4187928 0.79 ILK (0.41)
SCHEMBL4026579 0.78 MAPK10 (0.71) MAPK10MAPK9MAPK8
Acetonitrile SCHEMBL7707689 0.75 MAPK10 (0.67) MAPK10MAPK9MAPK8
SCHEMBL4968704 0.74 MAPK10 (0.49) MAPK10MAPK9MAPK8
SCHEMBL4201475 0.74 MAPK10 (0.48) MAPK10MAPK9MAPK8
SCHEMBL4188154 0.73 MAPK10 (0.44) MAPK10MAPK9MAPK8
SCHEMBL4192590 0.73 MAPK10 (0.44) MAPK10MAPK9MAPK8
SCHEMBL4190708 0.72 USP2 (0.48)

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