SCHEMBL30767491

SCHEMBL30767491

COC(=O)c1ccc(-n2cc(C(F)(F)F)cn2)nc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCG P01275 7/20 0.47
GCGR P47871 3/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EGLN1 Q9GZT9 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL22534381 0.84 RAB9A (0.49) RAB9ALMNANPC1KMT2AMAPK1
SCHEMBL11962743 0.82 GCG (0.60) GCGGCGR
SCHEMBL11900131 0.80 GCG (0.52) GCGGCGREGLN1
SCHEMBL11899556 0.79 GCGR (0.75) GCGGCGR
SCHEMBL11899687 0.79 GCG (0.51) GCGGCGRMAPTEGLN1SMN1; SMN2
SCHEMBL15350675 0.77 GCG (0.46) GCGGCGRLMNAMAPK1KDM4E
SCHEMBL30767560 0.77 CYP1A2 (0.60) GCGGCGRLMNAKDM4EL3MBTL1
SCHEMBL30767554 0.77 CFTR (0.43) GCGGCGRRAB9ALMNANPC1
SCHEMBL31706156 0.76 SLC34A1 (0.42) GCGGCGRLMNAMAPK1MAPT
SCHEMBL31705370 0.76 SLC34A1 (0.42) GCGGCGRLMNAMAPK1MAPT

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-4568960-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
WO-2024033458-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 WO disclosed