SCHEMBL21557872

SCHEMBL21557872

Cc1c[nH]c2ncc(N3CC4(COC4)C3)cc12

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.47
▸ MAP3K12 Q12852 16/20 0.47
▸ MET P08581 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36

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
SCHEMBL20503996 0.84 MAPK1 (0.49) MAPK1MAP3K12LRRK2
SCHEMBL18892042 0.80 MAP4K1 (0.47) MAPK1MAP3K12METLRRK2
SCHEMBL18891653 0.77 ROCK2 (0.43) MAPK1MAP3K12MET
SCHEMBL21557637 0.76 MAP3K12 (0.48) MAPK1MAP3K12MET
SCHEMBL18891802 0.76 ROCK2 (0.45) MAPK1MAP3K12MET
SCHEMBL21557641 0.75 MAPK1 (0.48) MAPK1MAP3K12METLRRK2
SCHEMBL21557995 0.75 MAPT (0.41) MAPK1MAP3K12MET
SCHEMBL21557936 0.75 MAPK1 (0.41) MAPK1MAP3K12MET
SCHEMBL21558002 0.75 MAPT (0.41) MAPK1MAP3K12MET
SCHEMBL18891996 0.74 MAPK1 (0.48) MAPK1MAP3K12MET

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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