SCHEMBL22638063

SCHEMBL22638063

[2H]C(C)(Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CRHR1 P34998 1/20 0.32
▸ ALOX15 P16050 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL29783520 1.00 MAPK1 (0.34) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL29783516 1.00 MAPK1 (0.34) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL80486 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL3117730 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL977522 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL22637997 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL3608660 0.87 MAPK1 (0.37) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL29783525 0.87 MAPK1 (0.37) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL79687 0.87 MAPK1 (0.37) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL975954 0.87 MAPK1 (0.38) MAPK1KMT2AMEN1GAAALDH1A1

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-2020227491-A1 DEUTERATED TRIAZOLOPYRIMIDINES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-11-12 — — WO disclosed
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