SCHEMBL29545698

SCHEMBL29545698

C[C@H]1Cn2nc(Br)c(N)c2C(=O)N1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.31

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
SCHEMBL29544614 1.00 ALOX5 (0.31) ALOX5
SCHEMBL29544591 0.81 ALOX5 (0.31) ALOX5
SCHEMBL29544632 0.72 CDC7 (0.36)
SCHEMBL29544566 0.70 PIK3C3 (0.37) ALOX5
SCHEMBL16708957 0.66
SCHEMBL29545029 0.66 PIK3C3 (0.31)
SCHEMBL20748902 0.62 PDE4D (0.39)
SCHEMBL17801738 0.59 ALOX5 (0.35) ALOX5
SCHEMBL24934671 0.58 PIK3C3 (0.42) ALOX5
SCHEMBL16727041 0.58 ALOX5 (0.33) ALOX5

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-2022072634-A1 BICYCLIC COMPOUNDS FOR USE IN THE TREATMENT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-07 WO disclosed