SCHEMBL25263346

SCHEMBL25263346

COc1cccc(F)c1NC(=O)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.64
▸ TSHR P16473 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ POLB P06746 1/20 0.56
▸ MAPK1 P28482 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ PDE4D Q08499 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CHRM4 P08173 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ CD274 Q9NZQ7 1/20 0.49

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
SCHEMBL21870191 0.86 MAPT (0.66) MAPTTSHRSMN1; SMN2POLBMAPK1
SCHEMBL29989633 0.79 MAPT (1.00) MAPTTSHRSMN1; SMN2POLBMAPK1
SCHEMBL4651272 0.79 MAPT (1.00) MAPTTSHRSMN1; SMN2POLBMAPK1
SCHEMBL29158025 0.79 SMN1; SMN2 (0.76) MAPTTSHRSMN1; SMN2POLBMAPK1
SCHEMBL6178491 0.79 MAPT (0.74) MAPTTSHRSMN1; SMN2POLBMAPK1
SCHEMBL20515255 0.78 GAA (0.73) MAPTSMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL25308546 0.75 KMT2A (0.57) MAPTTSHRMAPK1KDM4EALDH1A1
SCHEMBL32660990 0.75 GAA (0.59) SMN1; SMN2ALDH1A1LMNAHIF1A
SCHEMBL10473593 0.75 RAB9A (0.62) TSHRSMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL21870357 0.75 HDAC3 (0.62) MAPTSMN1; SMN2KDM4EALDH1A1LMNA

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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