SCHEMBL30039173

SCHEMBL30039173

CCc1[nH]c2nc(Br)nn2c(=O)c1N1CCN(C(=O)OC(C)(C)C)CC1.CCc1c(N2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n2nc(Br)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.45
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ DDR1 Q08345 1/20 0.31
▸ BACE1 P56817 3/20 0.31
▸ P2RX7 Q99572 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ WNT3A P56704 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ GAA P10253 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
SCHEMBL30038960 0.94 WRN (0.50) WRNMAPTALDH1A1DDR1BACE1
SCHEMBL25035212 0.94 WRN (0.49) WRNMAPTALDH1A1ENPP2BACE1
SCHEMBL30038096 0.94 WRN (0.49) WRNMAPTALDH1A1ENPP2BACE1
SCHEMBL30039143 0.92 WRN (0.40) WRNMAPTALDH1A1ENPP2BACE1
SCHEMBL30037486 0.91 MAPT (0.40) WRNMAPTALDH1A1DDR1WNT3A
SCHEMBL30038821 0.90 WRN (0.41) WRNP2RX7KCNH2
SCHEMBL30038941 0.90 WRN (0.44) WRNMAPTALDH1A1ENPP2DDR1
SCHEMBL30038767 0.90 WRN (0.40) WRNMAPTALDH1A1BACE1
SCHEMBL30038237 0.89 WRN (0.39) WRNP2RX7
SCHEMBL30037935 0.89 WRN (0.43) WRNMAPTALDH1A1ENPP2DDR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347596-A1 TRIAZOLO-PYRIMIDINE ANALOGUES FOR TREATING DISEASES CONNECTED TO THE INHIBITON OF WERNER SYNDROME RECQ HELICASE (WRN) Novartis AG (CH) 2024-04-10 — — EP disclosed
WO-2022249060-A1 TRIAZOLO-PYRIMIDINE ANALOGUES FOR TREATING DISEASES CONNECTED TO THE INHIBITON OF WERNER SYNDROME RECQ HELICASE (WRN) NOVARTIS AG (CH) 2022-12-01 — — WO disclosed
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