SCHEMBL22239863

SCHEMBL22239863

C=C(N[C@H](C)C(F)(F)F)c1ccc2c(n1)N(C(=C)Nc1ccc(C)cn1)C1CCN2C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.34
▸ GCK P35557 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL22239716 1.00 KMT2A (0.34) KMT2AGCKL3MBTL1
SCHEMBL22240094 0.88 PHGDH (0.36) KMT2A
SCHEMBL22240292 0.88 MEN1 (0.32) KMT2A
SCHEMBL22240224 0.87 — —
SCHEMBL22240024 0.87 ACACB (0.34) —
SCHEMBL22239948 0.85 — —
SCHEMBL22240128 0.84 EGFR (0.36) —
SCHEMBL17769922 0.84 KMT2A (0.37) KMT2AGCKL3MBTL1
SCHEMBL17769927 0.84 KMT2A (0.37) KMT2AGCKL3MBTL1
SCHEMBL22240191 0.83 KMT2A (0.34) KMT2AGCK

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-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
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