SCHEMBL30622860

SCHEMBL30622860

C[C@@H]1c2c(-c3ccncc3)c(Br)nn2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.40
▸ USP30 Q70CQ3 3/20 0.40
▸ MMP13 P45452 1/20 0.35
▸ SETD7 Q8WTS6 2/20 0.35
▸ BUB1 O43683 2/20 0.35
▸ UCHL1 P09936 2/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GRM1 Q13255 1/20 0.32

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
SCHEMBL26645255 0.85 SMO (0.34) NPC1
SCHEMBL30622831 0.83 MAPK14 (0.43) GPR119
SCHEMBL30623087 0.82 HTT (0.39) GPR119USP30MMP13
SCHEMBL30622817 0.82 ALDH1A1 (0.33) GPR119SETD7UCHL1MAP4K4
SCHEMBL29308619 0.82 MAP4K4 (0.36) GPR119SETD7UCHL1MAP4K4
SCHEMBL30622743 0.79 USP30 (0.39) GPR119USP30MMP13SETD7BUB1
SCHEMBL30622869 0.79 USP30 (0.39) GPR119USP30MMP13SETD7BUB1
SCHEMBL26645802 0.79 USP30 (0.39) GPR119USP30MMP13SETD7BUB1
SCHEMBL30622978 0.78 CYP3A4 (0.39) GPR119USP30MAP4K4
SCHEMBL30622876 0.77 GHSR (0.44) GPR119

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-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 — — EP disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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