SCHEMBL26645437

SCHEMBL26645437

COc1ccc(Nc2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)cc1F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 4/20 0.54
▸ GALR1 P47211 3/20 0.54
▸ NR1H2 P55055 1/20 0.42
▸ JAK2 O60674 2/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ ALK Q9UM73 2/20 0.41
▸ JAK1 P23458 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ F13A1 P00488 2/20 0.39
▸ TGM2 P21980 2/20 0.39
▸ TGM1 P22735 2/20 0.39
▸ STS P08842 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CFTR P13569 2/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ NAMPT P43490 1/20 0.38

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
SCHEMBL30622856 1.00 GALR2 (0.54) GALR2GALR1NR1H2JAK2JAK3
SCHEMBL30623068 0.99 GALR2 (0.53) GALR2GALR1NR1H2JAK2JAK3
SCHEMBL26645091 0.99 GALR2 (0.53) GALR2GALR1NR1H2JAK2JAK3
SCHEMBL26645720 0.86 NR1H2 (0.44) GALR2GALR1NR1H2JAK2JAK3
SCHEMBL26645416 0.82 MAPT (0.53) NR1H2JAK2JAK3PTK2JAK1
SCHEMBL26645516 0.82 NR1H2 (0.46) NR1H2JAK2JAK3JAK1NAMPT
SCHEMBL30622995 0.82 CFTR (0.44) GALR2GALR1NR1H2ALDH1A1STS
SCHEMBL26645173 0.82 MAPT (0.52) NR1H2JAK2JAK3PTK2JAK1
SCHEMBL26645025 0.82 CFTR (0.44) GALR2GALR1NR1H2ALDH1A1STS
SCHEMBL26645138 0.81 GALR2 (0.48) GALR2GALR1JAK2JAK3PTK2

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-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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