SCHEMBL6826851

SCHEMBL6826851

CC(=O)N1CCCC(C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 13/20 1.00
▸ MAPK8 P45983 10/20 1.00
▸ MAPK14 Q16539 10/20 1.00
▸ RAB9A P51151 1/20 0.53
▸ PIP5K1C O60331 1/20 0.51
▸ PIK3CA P42336 1/20 0.51
▸ BUB1 O43683 1/20 0.50
▸ USP30 Q70CQ3 1/20 0.49
▸ GSK3B P49841 1/20 0.49

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
SCHEMBL1518782 1.00 MAPK10 (1.00) MAPK10MAPK8MAPK14RAB9APIP5K1C
SCHEMBL6037694 0.94 MAPK10 (0.89) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL1518962 0.90 MAPK10 (1.00) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL1518648 0.90 MAPK10 (1.00) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL1518865 0.79 MAPK10 (1.00) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL1518802 0.79 MAPK10 (0.69) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL21068073 0.79 MAPK10 (1.00) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL1518805 0.79 MAPK10 (1.00) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL17223597 0.79 MAPK10 (1.00) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL1518930 0.78 MAPK10 (1.00) MAPK10MAPK8MAPK14PIP5K1CPIK3CA

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
WO-2004052880-A1 PYRIDINE DERIVATIVES AS JNK INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-06-24 — — WO claimed
WO-2004052880-A1 PYRIDINE DERIVATIVES AS JNK INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-06-24 — — WO disclosed
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