SCHEMBL22644286

SCHEMBL22644286

C=CCN(c1c(-c2c(C)cc(F)cc2F)c(Cl)nc2ncnn12)[C@@H](C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 2/20 0.32
ENPP1 P22413 3/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 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
SCHEMBL22644287 1.00 KMT2A (0.33) KMT2ATSHRALDH1A1POLBMAPK1
SCHEMBL23943822 0.89 EGLN2 (0.40) KMT2ATSHRALDH1A1POLBMEN1
SCHEMBL23943823 0.89 EGLN2 (0.31) KMT2ATSHRALDH1A1POLB
SCHEMBL7832550 0.84 KMT2A (0.32) KMT2ATSHRALDH1A1POLBMAPK1
SCHEMBL23943835 0.83
SCHEMBL23944460 0.82 ALDH1A1 (0.31) KMT2ATSHRALDH1A1POLB
SCHEMBL23944462 0.81 EGLN2 (0.39) KMT2ATSHRALDH1A1POLB
SCHEMBL23944159 0.80 EGLN2 (0.39)
SCHEMBL7833588 0.80 ENPP1 (0.36) KMT2ATSHRALDH1A1POLBMAPK1
SCHEMBL4814293 0.79 KMT2A (0.33) KMT2ATSHRALDH1A1POLBMAPK1

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