SCHEMBL29493555

SCHEMBL29493555

Brc1cnc(Br)c2n[nH]nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ CSNK2A3 Q8NEV1 1/20 0.42

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
SCHEMBL14799731 0.73 ALOX15 (0.50) DYRK1AKMT2AKDM4EMEN1GMNN
SCHEMBL16475106 0.72 MAPK1 (0.38) KMT2AHTT
SCHEMBL9886541 0.68 MEN1 (0.33) KMT2AMEN1MAPTHSD17B10HTT
SCHEMBL203305 0.67 DYRK1A (0.41) DYRK1AKMT2AKDM4EMEN1GMNN
SCHEMBL24153281 0.67 NQO2 (0.45) ALDH1A1LMNAMAPTHPGDNOD2
SCHEMBL30408222 0.67 NQO2 (0.45) ALDH1A1LMNAMAPTHPGDNOD2
SCHEMBL30406764 0.63 — —
SCHEMBL24153412 0.63 — —
SCHEMBL11544210 0.61 HTT (0.35) KMT2AHTT
SCHEMBL11025201 0.61 — —

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
CN-114409682-A Triazole pyridine receptor with positioning effect, polymer thereof and application thereof 中国科学院化学研究所 2022-04-29 — — CN disclosed
Send feedback