SCHEMBL26645489

SCHEMBL26645489

Cc1cc(-c2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GRM5 P41594 10/20 0.44
▸ NR1H2 P55055 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GPR119 Q8TDV5 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
SCHEMBL30623007 0.94 MEN1 (0.41) MEN1KMT2AGRM5NR1H2POLB
SCHEMBL26645758 0.91 GRM5 (0.43) MEN1KMT2AGRM5NR1H2POLB
SCHEMBL30622773 0.89 MEN1 (0.37) MEN1KMT2AGRM5NR1H2POLB
SCHEMBL26645578 0.87 GRM5 (0.50) MEN1KMT2AGRM5NR1H2POLB
SCHEMBL30622947 0.86 CFTR (0.44) MEN1KMT2AGRM5NR1H2
SCHEMBL26645632 0.86 CFTR (0.44) MEN1KMT2AGRM5NR1H2
SCHEMBL24277112 0.84 GRM5 (0.44) MEN1KMT2AGRM5NR1H2ESR2
SCHEMBL16711314 0.83 GRM5 (0.50) GRM5NR1H2
SCHEMBL26645030 0.82 HTT (0.55) MEN1KMT2AGRM5NR1H2GPR119
SCHEMBL30623013 0.82 GRM5 (0.45) MEN1KMT2AGRM5NR1H2POLB

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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