SCHEMBL26645138

SCHEMBL26645138

COc1ccc(Nc2nn3c(c2Br)CN(C(=O)OC(C)(C)C)CC3)cc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 1/20 0.48
▸ GALR1 P47211 1/20 0.48
▸ JAK2 O60674 3/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ ALK Q9UM73 1/20 0.39
▸ CSNK1E P49674 1/20 0.39
▸ MKNK1 Q9BUB5 5/20 0.38
▸ EPHA2 P29317 2/20 0.38
▸ F13A1 P00488 2/20 0.38
▸ TGM2 P21980 2/20 0.38
▸ TGM1 P22735 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CFTR P13569 2/20 0.37
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36

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
SCHEMBL26645718 0.88 CSNK1E (0.41) GALR2GALR1PTK2CSNK1EALDH1A1
SCHEMBL30623109 0.86 GALR2 (0.46) GALR2GALR1JAK2JAK1JAK3
SCHEMBL26645791 0.86 GALR2 (0.46) GALR2GALR1JAK2JAK1JAK3
SCHEMBL26645058 0.86 JAK2 (0.45) JAK2JAK1JAK3PTK2CSNK1E
SCHEMBL26645893 0.82 MAPT (0.51) JAK2JAK1JAK3PTK2MKNK1
SCHEMBL26645037 0.82 JAK2 (0.44) JAK2JAK1JAK3MKNK1
SCHEMBL26645738 0.81 MAPT (0.50) JAK2JAK1JAK3PTK2MKNK1
SCHEMBL30622856 0.81 GALR2 (0.54) GALR2GALR1JAK2JAK1JAK3
SCHEMBL26645437 0.81 GALR2 (0.54) GALR2GALR1JAK2JAK1JAK3
SCHEMBL30623068 0.80 GALR2 (0.53) GALR2GALR1JAK2JAK1JAK3

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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