SCHEMBL26645037

SCHEMBL26645037

CC(C)(C)OC(=O)N1CCn2nc(Nc3ccccc3)c(Br)c2C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.44
▸ JAK1 P23458 11/20 0.44
▸ MKNK1 Q9BUB5 2/20 0.43
▸ JAK3 P52333 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL26645058 0.90 JAK2 (0.45) JAK2JAK1MKNK1JAK3GPR119
SCHEMBL26645893 0.88 MAPT (0.51) JAK2JAK1MKNK1JAK3GPR119
SCHEMBL26645738 0.87 MAPT (0.50) JAK2JAK1MKNK1JAK3GPR119
SCHEMBL26645230 0.84 BUB1 (0.47) JAK2JAK1JAK3
SCHEMBL26645138 0.82 GALR2 (0.48) JAK2JAK1MKNK1JAK3
SCHEMBL26645717 0.79 MKNK1 (0.55) MKNK1GPR119
SCHEMBL26645516 0.76 NR1H2 (0.46) JAK2JAK1JAK3GPR119PTPN11
SCHEMBL30752610 0.75 NR1H2 (0.46) GPR119MAPK1
SCHEMBL30752612 0.75 NR1H2 (0.46) GPR119MAPK1
SCHEMBL30752613 0.75 NR1H2 (0.46) GPR119MAPK1

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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