SCHEMBL6830651

SCHEMBL6830651

CC(=O)N(C(=O)C1CCNC1)c1cc(-c2ccnc(Nc3ccc(F)cc3)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 12/20 0.52
▸ MAPK14 Q16539 11/20 0.52
▸ MAPK8 P45983 10/20 0.52
▸ PIP5K1C O60331 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ BUB1 O43683 2/20 0.41
▸ PRKCI P41743 2/20 0.40
▸ GSK3B P49841 3/20 0.40
▸ GSK3A P49840 1/20 0.38

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
SCHEMBL5814782 0.95 MAPK10 (0.52) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL5813702 0.86 MAPK10 (0.51) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL5813438 0.86 MAPK10 (0.51) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL6830052 0.85 MAPK10 (0.54) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL1518733 0.81 MAPK10 (0.72) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL1518802 0.77 MAPK10 (0.69) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL6505288 0.75 BUB1 (0.49) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL5814740 0.74 MAPK10 (0.49) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL17631644 0.70 CDK9 (0.40) PRKCIGSK3B
SCHEMBL1518968 0.69 MAPK10 (1.00) MAPK10MAPK14MAPK8

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