SCHEMBL30623123

SCHEMBL30623123

COc1cccc(-c2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)c1.COc1cccc(-c2nn3c(c2Br)CN(C(=O)OC(C)(C)C)CC3)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.43
▸ CSNK1E P49674 8/20 0.41
▸ CSNK1D P48730 7/20 0.41
▸ USP30 Q70CQ3 1/20 0.38
▸ MGAT2 Q10469 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ ABL2 P42684 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NR1H2 P55055 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
SCHEMBL26645271 0.92 CSNK1E (0.46) CSNK1ECSNK1DUSP30MGAT2DGAT2
SCHEMBL26645772 0.89 GRM5 (0.51) GRM5USP30MGAT2DGAT2ABL1
SCHEMBL30622773 0.83 MEN1 (0.37) GRM5CSNK1ECSNK1DNR1H2
SCHEMBL30622973 0.83 GRM5 (0.41) GRM5CSNK1ENR1H2
SCHEMBL30622765 0.83 CSNK1E (0.44) GRM5CSNK1ECSNK1D
SCHEMBL26645904 0.80 CSNK1E (0.55) CSNK1ECSNK1D
SCHEMBL30622835 0.79 CSNK1E (0.44) CSNK1ECSNK1DUSP30DGAT2ABL1
SCHEMBL26645379 0.79 CSNK1E (0.44) CSNK1ECSNK1DUSP30DGAT2ABL1
SCHEMBL26645030 0.79 HTT (0.55) GRM5HTTHDAC6KDM4EMAPT
SCHEMBL16711195 0.77 GRM5 (0.50) GRM5CSNK1ECSNK1DNR1H2

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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