SCHEMBL28945823

SCHEMBL28945823

COc1cc2ncc(C#N)c(O)c2cc1Br

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.51
ERBB2 P04626 11/20 0.51
MAP2K1 Q02750 1/20 0.50
SRC P12931 9/20 0.49
GAK O14976 2/20 0.47

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
SCHEMBL15279141 0.88 EGFR (0.62) EGFRERBB2MAP2K1SRCGAK
SCHEMBL28801565 0.86 EGFR (0.53) EGFRERBB2MAP2K1SRCGAK
SCHEMBL19889930 0.83 SRC (0.55) EGFRERBB2SRC
SCHEMBL20775350 0.83 EGFR (0.51) EGFRERBB2MAP2K1SRCGAK
SCHEMBL4294162 0.81 EGFR (0.51) EGFRERBB2MAP2K1SRCGAK
SCHEMBL13427130 0.79 EGFR (0.53) EGFRERBB2MAP2K1SRCGAK
SCHEMBL4786042 0.79 SRC (0.63) EGFRERBB2MAP2K1SRCGAK
SCHEMBL22589792 0.78 SRC (0.56) EGFRERBB2MAP2K1SRCGAK
SCHEMBL29363297 0.78 SRC (0.56) EGFRERBB2MAP2K1SRCGAK
SCHEMBL6382288 0.78 EGFR (0.55) EGFRERBB2MAP2K1SRCGAK

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
CN-115677658-A Bicyclic aromatic compounds and their use 江苏开元药业有限公司 2023-02-03 CN disclosed