SCHEMBL29675772

SCHEMBL29675772

CC(C(=O)N[C@H](C)c1cc(F)cc(N2CCN(C)CC2)c1)N1Cc2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.59
THRB P10828 3/20 0.46
EGFR P00533 2/20 0.45
LMNA P02545 1/20 0.44
SDCBP O00560 1/20 0.42
SDC2 P34741 1/20 0.42

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
SCHEMBL31592602 0.76 MAPK1 (0.64) MAPK1
SCHEMBL30225824 0.76 MAPK1 (1.00) MAPK1
SCHEMBL28764082 0.76 MAPK1 (1.00) MAPK1
SCHEMBL29675587 0.75 MAPK1 (0.42) MAPK1LMNA
SCHEMBL20720319 0.75 MAPK1 (1.00) MAPK1
SCHEMBL30225767 0.75 MAPK1 (1.00) MAPK1
SCHEMBL18794706 0.75 MAPK1 (1.00) MAPK1
SCHEMBL18793294 0.74 MAPK1 (1.00) MAPK1
SCHEMBL18794256 0.74 MAPK1 (1.00) MAPK1
SCHEMBL31592658 0.74 MAPK1 (0.62) MAPK1THRBLMNA

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
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN claimed