SCHEMBL21557656

SCHEMBL21557656

Cc1cccc(Cn2ccc(-c3cn(S)c4ncc(N5CCOCC5)cc34)cc2=O)c1F

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 18/20 0.58
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ BRD4 O60885 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
SCHEMBL21558019 0.94 MAPK1 (0.59) MAPK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21557658 0.91 MAPK1 (0.57) MAPK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21557655 0.91 MAPK1 (0.61) MAPK1
SCHEMBL21557993 0.90 MAPK1 (0.72) MAPK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21557728 0.89 MAPK1 (0.54) MAPK1
SCHEMBL21557726 0.89 MAPK1 (0.54) MAPK1
SCHEMBL21557718 0.87 MAPK1 (0.70) MAPK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21557683 0.87 MAPK1 (0.53) MAPK1BRD4
SCHEMBL21557729 0.87 MAPK1 (0.52) MAPK1
SCHEMBL25970979 0.86 MAPK1 (0.59) MAPK1PIK3CDPIK3CAPIK3CBPIK3CG

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
EP-3377491-B1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2019-11-13 — — EP disclosed
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