SCHEMBL26645209

SCHEMBL26645209

CC1Cn2nc(-c3ccc4cc(F)sc4c3)c(-c3ccncc3)c2CN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.33
▸ CYP17A1 P05093 1/20 0.31
▸ CSNK1D P48730 2/20 0.31
▸ CSNK1E P49674 2/20 0.31
▸ MAPK14 Q16539 1/20 0.30
▸ TOP2A P11388 1/20 0.30
▸ TOP2B Q02880 1/20 0.30

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
SCHEMBL30622347 0.90 EGFR (0.35) GHSR
SCHEMBL26645120 0.90 EGFR (0.35) GHSR
SCHEMBL26645143 0.90 TMEM97 (0.35) GHSR
SCHEMBL30622814 0.88 USP30 (0.32) GHSR
SCHEMBL26645478 0.86 GHSR (0.33) GHSR
SCHEMBL26645626 0.83 MAPK9 (0.40) GHSRCSNK1DMAPK14
SCHEMBL26645220 0.80 TMEM97 (0.33) GHSR
SCHEMBL30622329 0.80 TMEM97 (0.33) GHSR
SCHEMBL26645621 0.79 MAPK14 (0.40) MAPK14
SCHEMBL26645097 0.79 MAPK14 (0.40) MAPK14

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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