SCHEMBL31047165

SCHEMBL31047165

CCc1cc(=O)n2nc(-c3ccccc3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.47
▸ WRN Q14191 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ TP53 P04637 3/20 0.41
▸ MAPT P10636 4/20 0.40
▸ LMNA P02545 2/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL25035250 0.86 ACHE (0.44) ACHEWRNGAAALDH1A1KMT2A
SCHEMBL30037179 0.86 ACHE (0.44) ACHEWRNGAAALDH1A1KMT2A
SCHEMBL31270593 0.86 WRN (0.41) ACHEWRNGAAALDH1A1TSHR
SCHEMBL31047182 0.85 WRN (0.50) ACHEWRNGAAALDH1A1KMT2A
SCHEMBL31499632 0.84 WRN (0.45) ACHEWRNALDH1A1KMT2AMEN1
SCHEMBL30038447 0.83 WRN (0.61) ACHEWRNGAAALDH1A1TSHR
SCHEMBL25036852 0.83 WRN (0.61) ACHEWRNGAAALDH1A1TSHR
SCHEMBL31295764 0.83 WRN (0.49) ACHEWRNALDH1A1TSHRHSD17B10
SCHEMBL31295794 0.83 WRN (0.49) ACHEWRNGAAALDH1A1KMT2A
SCHEMBL31295756 0.83 WRN (0.47) ACHEWRNALDH1A1TSHRL3MBTL1

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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