SCHEMBL23930840

SCHEMBL23930840

C=C(c1cc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn(C(=O)OC(C)(C)C)c2cc1Cl)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.35

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
SCHEMBL26977231 0.81 MAP2K4 (0.34) MAP2K4
SCHEMBL23930815 0.78 RORC (0.37) MAP2K4
SCHEMBL13210054 0.76 MAP2K4 (0.36) MAP2K4
SCHEMBL23930988 0.74 MAP2K4 (0.31) MAP2K4
SCHEMBL30833750 0.74 MAP2K4 (0.39) MAP2K4
SCHEMBL1321196 0.74 MAP2K4 (0.39) MAP2K4
SCHEMBL23930987 0.74 MAP2K4 (0.31) MAP2K4
Potassium Ion SCHEMBL1317651 0.73 MAP2K4 (0.39) MAP2K4
SCHEMBL21879928 0.72 RHEB (0.31)
SCHEMBL10143378 0.72 MAP2K4 (0.34) MAP2K4

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
WO-2021215545-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 WO disclosed