SCHEMBL26645193

SCHEMBL26645193

C[C@H]1Cn2nc(-c3ccc(Cl)cc3F)c(-c3ccncc3)c2CN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.39
▸ CSNK1D P48730 2/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ FRK P42685 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ MINK1 Q8N4C8 1/20 0.36
▸ GHSR Q92847 1/20 0.36
▸ KMO O15229 1/20 0.35
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ MARS1 P56192 1/20 0.34
▸ P2RX7 Q99572 4/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ TOP2A P11388 1/20 0.33

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
SCHEMBL26645160 1.00 BCHE (0.39) BCHECSNK1DMAP4K4EGFRPRKACA
SCHEMBL26645433 1.00 BCHE (0.39) BCHECSNK1DMAP4K4EGFRPRKACA
SCHEMBL26644933 0.89 EGFR (0.38) BCHECSNK1DMAP4K4EGFRPRKACA
SCHEMBL26644898 0.89 EGFR (0.38) BCHECSNK1DMAP4K4EGFRPRKACA
SCHEMBL26644948 0.89 BCHE (0.37) BCHECSNK1DMAP4K4EGFRPRKACA
SCHEMBL26645077 0.89 EGFR (0.38) BCHECSNK1DMAP4K4EGFRPRKACA
SCHEMBL30622395 0.89 BCHE (0.37) BCHECSNK1DMAP4K4EGFRPRKACA
SCHEMBL30622938 0.88 RIPK3 (0.37) BCHECSNK1DMAP4K4EGFRPRKACA
SCHEMBL30622909 0.88 RIPK3 (0.37) BCHECSNK1DMAP4K4EGFRPRKACA
SCHEMBL26645141 0.88 RIPK3 (0.37) BCHECSNK1DMAP4K4EGFRPRKACA

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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