SCHEMBL25307646

SCHEMBL25307646

COc1c(F)cccc1OC(=O)c1ccc(C)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ SLC2A1 P11166 1/20 0.47
▸ SLC2A4 P14672 1/20 0.47
▸ THRB P10828 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL25309723 0.90 KMT2A (0.48) KMT2AMEN1SLC2A1SLC2A4THRB
SCHEMBL25307755 0.81 KMT2A (0.41) KMT2AMEN1THRBMAPTPOLB
SCHEMBL25308360 0.79 KMT2A (0.46) KMT2AMEN1THRBMAPTPOLB
SCHEMBL25308514 0.79 KMT2A (0.57) KMT2AMEN1THRBMAPTPOLB
SCHEMBL25309554 0.77 KMT2A (0.46) KMT2AMEN1THRBMAPTPOLB
SCHEMBL6726742 0.75 KMT2A (0.50) KMT2AMEN1MAPTKDM4EKCNQ3
SCHEMBL25311726 0.74 KMT2A (0.41) KMT2AMEN1THRBMAPTPOLB
SCHEMBL25308546 0.73 KMT2A (0.57) KMT2AMEN1SLC2A1SLC2A4THRB
SCHEMBL29639224 0.72 SMN1; SMN2 (0.52) KMT2AMEN1SLC2A1SLC2A4MAPT
SCHEMBL25309190 0.71 NPC1 (0.45) KMT2AMEN1MAPTKDM4EALDH1A1

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-2023134708-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BEIGENE , LTD. (KY) 2023-07-20 — — WO disclosed
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