SCHEMBL26645545

SCHEMBL26645545

COc1ccccc1-c1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 14/20 0.45
▸ NR1H2 P55055 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMARCA2 P51531 1/20 0.43
▸ SMARCA4 P51532 1/20 0.43
▸ PBRM1 Q86U86 1/20 0.43
▸ GRM1 Q13255 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ CACNB4 O00305 1/20 0.40
▸ CACNA1A O00555 1/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CACNG3 O60359 1/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNB3 P54284 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.40
▸ CACNG7 P62955 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ CACNA1D Q01668 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
SCHEMBL31004951 0.84 SMARCA2 (0.45) GRM5NR1H2MEN1KMT2ASMARCA2
SCHEMBL19549826 0.82 CD274 (0.53) GRM5NR1H2SMARCA2SMARCA4PBRM1
SCHEMBL26645030 0.81 HTT (0.55) GRM5NR1H2MEN1KMT2A
SCHEMBL16682723 0.81 GRM5 (0.67) GRM5
SCHEMBL30622995 0.81 CFTR (0.44) GRM5NR1H2MEN1KMT2ACFTR
SCHEMBL26645025 0.81 CFTR (0.44) GRM5NR1H2MEN1KMT2ACFTR
SCHEMBL30622947 0.81 CFTR (0.44) GRM5NR1H2MEN1KMT2AMAPK1
SCHEMBL26645632 0.81 CFTR (0.44) GRM5NR1H2MEN1KMT2AMAPK1
SCHEMBL26645772 0.80 GRM5 (0.51) GRM5NR1H2MEN1KMT2A
SCHEMBL16711314 0.79 GRM5 (0.50) GRM5NR1H2GRM1

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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