SCHEMBL23022281

SCHEMBL23022281

Nc1ncc(Br)nc1Oc1cnn(C2CN(Sc3ccccc3)C2)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
MAP4K3 Q8IVH8 2/20 0.32
GRK5 P34947 1/20 0.32

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
SCHEMBL23022280 0.81
SCHEMBL23022279 0.81 JAK1 (0.39) AURKAAURKBMAP4K3GRK5
SCHEMBL23022319 0.78 FGFR1 (0.30)
SCHEMBL23022290 0.76 JAK1 (0.35) AURKAAURKBGRK5
SCHEMBL28734850 0.75 LRRK2 (0.30)
SCHEMBL23022209 0.75 LRRK2 (0.38) AURKBMAP4K3GRK5
SCHEMBL28734828 0.75 MET (0.42) GRK5
SCHEMBL24270064 0.75 MAP4K3 (0.44) MAP4K3GRK5
SCHEMBL23022183 0.74 MET (0.36) AURKAAURKB
SCHEMBL23022232 0.74 MET (0.41) AURKAAURKB

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-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed