SCHEMBL26645626

SCHEMBL26645626

CC1Cn2nc(-c3ccc4ccccc4c3)c(-c3ccncc3)c2CN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 5/20 0.40
▸ MAPK10 P53779 5/20 0.40
▸ MAPK8 P45983 2/20 0.40
▸ MAPK14 Q16539 7/20 0.38
▸ CSNK1D P48730 6/20 0.38
▸ MAPK11 Q15759 6/20 0.38
▸ SMO Q99835 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ GHSR Q92847 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ TEK Q02763 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ RIPK2 O43353 1/20 0.34
▸ SRC P12931 1/20 0.34

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
SCHEMBL26645691 0.89 MAPK8 (0.38) MAPK9MAPK10MAPK8MAPK14CSNK1D
SCHEMBL30622941 0.89 MAPK8 (0.38) MAPK9MAPK10MAPK8MAPK14CSNK1D
SCHEMBL30622834 0.87 MAPK8 (0.36) MAPK9MAPK10MAPK8MAPK14CSNK1D
SCHEMBL26645478 0.85 GHSR (0.33) SMOGHSR
SCHEMBL26645239 0.84 SRC (0.41) MAPK14MAPK11SMOSRC
SCHEMBL26645097 0.84 MAPK14 (0.40) MAPK14MAPK11SMOSRC
SCHEMBL26645621 0.84 MAPK14 (0.40) MAPK14MAPK11SMOSRC
SCHEMBL26645209 0.83 GHSR (0.33) MAPK14CSNK1DGHSR
SCHEMBL26645143 0.83 TMEM97 (0.35) GHSR
SCHEMBL26645595 0.78 SMO (0.34) SMOGHSR

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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