SCHEMBL31047182

SCHEMBL31047182

CCc1c(Br)c(=O)n2nc(-c3ccccc3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.50
▸ ACHE P22303 2/20 0.45
▸ AKR1B1 P15121 3/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ GAA P10253 2/20 0.39
▸ TP53 P04637 4/20 0.38
▸ HTT P42858 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36

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
SCHEMBL31270578 0.87 WRN (0.48) WRNACHEAKR1B1NTRK1MAPT
SCHEMBL31499786 0.86 WRN (0.51) WRNACHEAKR1B1KMT2AALDH1A1
SCHEMBL31047165 0.85 ACHE (0.47) WRNACHEKMT2AALDH1A1MEN1
SCHEMBL25037213 0.84 WRN (0.69) WRNACHEAKR1B1KMT2AALDH1A1
SCHEMBL30037138 0.84 WRN (0.69) WRNACHEAKR1B1KMT2AALDH1A1
SCHEMBL31295799 0.83 WRN (0.56) WRNACHEAKR1B1KMT2AALDH1A1
SCHEMBL31295837 0.83 WRN (0.54) WRNACHEAKR1B1KMT2AALDH1A1
SCHEMBL31295828 0.83 WRN (0.54) WRNACHEAKR1B1KMT2AALDH1A1
SCHEMBL31295752 0.83 WRN (0.62) WRNACHEAKR1B1KMT2AALDH1A1
SCHEMBL31295768 0.83 WRN (0.56) WRNACHEAKR1B1KMT2AALDH1A1

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-2024193716-A1 TRIAZOLOPYRIMIDINE COMPOUND 南京再明医药有限公司 2024-09-26 — — WO disclosed
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