SCHEMBL30984263

SCHEMBL30984263

CCc1cc(=O)n2nc(Br)nc2n1CC(=O)Nc1cc(Cl)c(C(F)(F)F)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.36
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ TP53 P04637 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ RXFP1 Q9HBX9 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ HTT P42858 3/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 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
SCHEMBL30984261 0.93 THRB (0.35) THRBMEN1KMT2ATDP1MAPT
SCHEMBL30984155 0.90 THRB (0.40) THRBMEN1KMT2ATDP1MAPT
SCHEMBL30984148 0.86 THRB (0.38) THRBMEN1KMT2ATDP1MAPT
SCHEMBL25035250 0.83 ACHE (0.44) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL30037179 0.83 ACHE (0.44) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL30984328 0.83 THRB (0.41) THRBMEN1KMT2ATDP1MAPT
SCHEMBL30984280 0.82 WRN (0.49) THRBMAPTTP53ALDH1A1LMNA
SCHEMBL31713877 0.78 KDM4E (0.44) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL25037080 0.76 WRN (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL30984247 0.75 WRN (0.49) THRBMAPTTP53ALDH1A1LMNA

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-2024153155-A1 DOUBLE-HETEROCYCLIC WRN INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都微芯药业有限公司 2024-07-25 — — WO disclosed
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