SCHEMBL4201475

SCHEMBL4201475

CC(C)OC(=O)CCNc1nccc(C(C#N)c2nc3ccccc3s2)n1.N#CCC1C=CN=C(NCc2ccccc2)N1c1nc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.48
MAPK9 P45984 10/20 0.48
MAPK8 P45983 2/20 0.46
TSHR P16473 1/20 0.32
PIK3CA P42336 1/20 0.30

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
SCHEMBL4017751 0.86 MAPK10 (0.64) MAPK10MAPK9MAPK8TSHRPIK3CA
SCHEMBL2884385 0.81 MAPK10 (0.70) MAPK10MAPK9MAPK8TSHR
SCHEMBL4192590 0.80 MAPK10 (0.44) MAPK10MAPK9MAPK8
SCHEMBL4188154 0.77 MAPK10 (0.44) MAPK10MAPK9MAPK8
SCHEMBL7706938 0.76 KMT2A (0.37)
SCHEMBL5976514 0.75 MAPK10 (0.43) MAPK10MAPK9MAPK8
SCHEMBL7704531 0.74 MAPK10 (0.47) MAPK10MAPK9MAPK8
SCHEMBL4968704 0.74 MAPK10 (0.49) MAPK10MAPK9MAPK8
SCHEMBL2881183 0.73 MAPK10 (0.76) MAPK10MAPK9MAPK8PIK3CA
SCHEMBL5596240 0.72 MAPK10 (0.78) MAPK10MAPK9MAPK8TSHR

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-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed