SCHEMBL30622831

SCHEMBL30622831

C[C@@H]1c2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 14/20 0.43
▸ MAPK11 Q15759 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ CSNK1E P49674 1/20 0.38
▸ SRC P12931 3/20 0.37
▸ BRAF P15056 3/20 0.37
▸ KDR P35968 3/20 0.37
▸ GRIA1 P42261 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ GSK3B P49841 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
SCHEMBL30623087 0.89 HTT (0.39) GPR119SRCBRAFKDR
SCHEMBL26645391 0.87 MAPK14 (0.48) MAPK14MAPK11KCNH2CSNK1A1CSNK1D
SCHEMBL26645130 0.85 CSNK1D (0.37) CSNK1DCSNK1EGRIA1
SCHEMBL30622862 0.85 CSNK1D (0.37) CSNK1DCSNK1EGRIA1
SCHEMBL29308625 0.85 CSNK1D (0.39) CSNK1DCSNK1EGRIA1
SCHEMBL30622978 0.83 CYP3A4 (0.39) GPR119CSNK1A1CSNK1DEGFR
SCHEMBL30622876 0.83 GHSR (0.44) GPR119CSNK1EBRAF
SCHEMBL30622860 0.83 GPR119 (0.40) GPR119
SCHEMBL30622960 0.82 BRD4 (0.35) GPR119
SCHEMBL30623103 0.82 MAPK14 (0.44) MAPK14MAPK11KCNH2CSNK1A1CSNK1D

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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