SCHEMBL5814782

SCHEMBL5814782

CC(=O)N(C(=O)[C@@H]1CCCNC1)c1cc(-c2ccnc(Nc3ccc(F)cc3)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 10/20 0.52
▸ MAPK14 Q16539 10/20 0.52
▸ MAPK8 P45983 8/20 0.52
▸ CDK9 P50750 3/20 0.43
▸ BUB1 O43683 3/20 0.41
▸ PIP5K1C O60331 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ GSK3B P49841 3/20 0.39

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
SCHEMBL6830651 0.95 MAPK10 (0.52) MAPK10MAPK14MAPK8BUB1PIP5K1C
SCHEMBL5813702 0.91 MAPK10 (0.51) MAPK10MAPK14MAPK8CDK9BUB1
SCHEMBL5813438 0.91 MAPK10 (0.51) MAPK10MAPK14MAPK8CDK9BUB1
SCHEMBL1518802 0.82 MAPK10 (0.69) MAPK10MAPK14MAPK8CDK9BUB1
SCHEMBL6830052 0.81 MAPK10 (0.54) MAPK10MAPK14MAPK8BUB1PIP5K1C
SCHEMBL1518733 0.77 MAPK10 (0.72) MAPK10MAPK14MAPK8CDK9BUB1
SCHEMBL5814740 0.74 MAPK10 (0.49) MAPK10MAPK14MAPK8BUB1PIP5K1C
SCHEMBL6505288 0.71 BUB1 (0.49) MAPK10MAPK14MAPK8BUB1PIP5K1C
SCHEMBL6826851 0.69 MAPK10 (1.00) MAPK10MAPK14MAPK8BUB1PIP5K1C
SCHEMBL1518782 0.69 MAPK10 (1.00) MAPK10MAPK14MAPK8BUB1PIP5K1C

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 3 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-2006104983-A1 THERAPEUTIC METHODS FOR TYPE I DIABETES UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2006-10-05 — — WO disclosed
WO-2004052880-A1 PYRIDINE DERIVATIVES AS JNK INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-06-24 — — WO disclosed
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