SCHEMBL16623563

SCHEMBL16623563

CCC(C)C(=O)c1ccc(C(=N)c2c(Nc3c(F)cccc3F)c(CI)c[nH]c2=O)cc1F

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32

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
SCHEMBL16623554 0.74 MAPK14 (0.33) KMT2A
SCHEMBL16623476 0.74
SCHEMBL17849205 0.72 DGAT1 (0.32)
SCHEMBL16623477 0.69 BDKRB1 (0.36) KMT2A
SCHEMBL16623507 0.66 ITGA4 (0.33)
SCHEMBL16623480 0.65 MAPK14 (0.34) KMT2A
SCHEMBL16726665 0.63 ALDH2 (0.33) KMT2A
SCHEMBL16623479 0.63 CRBN (0.40)
SCHEMBL16623533 0.63 F10 (0.34)
SCHEMBL16623518 0.63 KMT2A (0.31) KMT2A

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-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed