SCHEMBL21558038

SCHEMBL21558038

Cc1cc(F)cc(Cn2ccc(-c3cn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c4ncc(N5CCOCC5)cc34)cc2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 17/20 0.45
▸ CHEK1 O14757 1/20 0.36
▸ STAT6 P42226 1/20 0.36
▸ P2RX7 Q99572 1/20 0.34

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
SCHEMBL22403218 0.93 MAPK1 (0.46) MAPK1CHEK1STAT6
SCHEMBL21557749 0.93 MAPK1 (0.44) MAPK1CHEK1STAT6
SCHEMBL30497101 0.93 MAPK1 (0.46) MAPK1P2RX7
SCHEMBL30497095 0.93 MAPK1 (0.44) MAPK1CHEK1STAT6
SCHEMBL21557684 0.93 MAPK1 (0.46) MAPK1P2RX7
SCHEMBL21557686 0.90 MAPK1 (0.45) MAPK1CHEK1STAT6P2RX7
SCHEMBL21557744 0.88 MAPK1 (0.51) MAPK1
SCHEMBL20503855 0.86 MAPK1 (0.46) MAPK1CHEK1STAT6
SCHEMBL20503951 0.86 MAPK1 (0.49) MAPK1CHEK1STAT6
SCHEMBL20503878 0.86 MAPK1 (0.49) MAPK1P2RX7

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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