SCHEMBL18469824

SCHEMBL18469824

C=CC(=O)N[C@H]1CC(C2CCC2)C[C@@H]1Nc1nc(Nc2cc(C(N)=O)ccc2C)ncc1Cl

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK3 P27361 18/20 0.82
▸ LRRK2 Q5S007 1/20 0.45
▸ FGFR4 P22455 1/20 0.43

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
SCHEMBL21894210 0.96 MAPK3 (0.81) MAPK3LRRK2FGFR4
SCHEMBL21894347 0.96 MAPK3 (0.81) MAPK3LRRK2FGFR4
SCHEMBL19176602 0.95 MAPK3 (0.84) MAPK3LRRK2FGFR4
SCHEMBL19176554 0.95 MAPK3 (0.84) MAPK3LRRK2FGFR4
SCHEMBL19176670 0.95 MAPK3 (0.84) MAPK3LRRK2FGFR4
SCHEMBL18857671 0.94 MAPK3 (0.82) MAPK3LRRK2FGFR4
SCHEMBL15937976 0.92 MAPK3 (0.97) MAPK3LRRK2FGFR4
SCHEMBL15938420 0.90 MAPK3 (1.00) MAPK3LRRK2FGFR4
SCHEMBL15938881 0.90 MAPK3 (1.00) MAPK3LRRK2FGFR4
SCHEMBL15938250 0.90 MAPK3 (1.00) MAPK3LRRK2FGFR4

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
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 — — US disclosed
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