SCHEMBL30836985

SCHEMBL30836985

COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc2cc(-c3cnn(C)c3)c(=O)n(C)c2n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.49
FGFR1 P11362 1/20 0.42
TTK P33981 1/20 0.40
RIPK2 O43353 1/20 0.40
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL30837107 0.90 EGFR (0.49) EGFRFGFR1RIPK2NOD2
SCHEMBL30837125 0.89 EGFR (0.48) EGFRFGFR1RIPK2NOD2
SCHEMBL30836982 0.89 RIPK2 (0.52) EGFRFGFR1RIPK2NOD2
SCHEMBL30837087 0.88 EGFR (0.48) EGFRFGFR1RIPK2NOD2
SCHEMBL30837015 0.88 EGFR (0.51) EGFRFGFR1TTK
SCHEMBL30837070 0.88 EGFR (0.49) EGFRFGFR1
SCHEMBL30837022 0.87 EGFR (0.47) EGFRFGFR1RIPK2NOD2
SCHEMBL30837117 0.87 EGFR (0.47) EGFRFGFR1RIPK2NOD2
SCHEMBL30837126 0.87 EGFR (0.50) EGFRFGFR1RIPK2NOD2
SCHEMBL30837023 0.86 EGFR (0.55) EGFRFGFR1

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-2024073745-A1 INHIBITORS OF EGFR OR HER2 AND METHODS OF USE ARBELLA THERAPEUTICS, LLC (US) 2024-04-04 WO disclosed