SCHEMBL26645030

SCHEMBL26645030

COc1ccc(-c2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ GRM5 P41594 3/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.47
▸ NR1H2 P55055 1/20 0.46
▸ MMP1 P03956 2/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP7 P09237 1/20 0.45
▸ GPR119 Q8TDV5 1/20 0.45
▸ STS P08842 2/20 0.43
▸ MAPT P10636 3/20 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
SCHEMBL26645772 0.88 GRM5 (0.51) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL26645578 0.88 GRM5 (0.50) MEN1KMT2AGRM5NR1H2STS
SCHEMBL16711314 0.88 GRM5 (0.50) HTTGRM5NR1H2
SCHEMBL26645099 0.86 GRM5 (0.48) HTTGRM5NR1H2GPR119STS
SCHEMBL30622995 0.84 CFTR (0.44) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL26645025 0.84 CFTR (0.44) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL30622947 0.84 CFTR (0.44) HTTALDH1A1MEN1KMT2AGRM5
SCHEMBL26645632 0.84 CFTR (0.44) HTTALDH1A1MEN1KMT2AGRM5
SCHEMBL30623013 0.82 GRM5 (0.45) MEN1KMT2AGRM5NR1H2STS
SCHEMBL26645489 0.82 MEN1 (0.44) MEN1KMT2AGRM5NR1H2GPR119

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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