SCHEMBL28998733

SCHEMBL28998733

Cn1nnc(-c2ncc(NC(=O)C3(C#N)CC3)cc2F)c1OC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.39
EGLN2 Q96KS0 1/20 0.36
BTK Q06187 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
NTRK1 P04629 1/20 0.31
OTUD7B Q6GQQ9 1/20 0.30

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
SCHEMBL28998255 0.86 BACE1 (0.33) BACE1EGLN2BTKAAK1
SCHEMBL28998194 0.83 AAK1 (0.35) BACE1EGLN2BTKAAK1
SCHEMBL28998183 0.82 JAK2 (0.34) BACE1
SCHEMBL30352432 0.79 MKNK1 (0.33) BTK
SCHEMBL28998232 0.79 MKNK1 (0.33) BTK
SCHEMBL28998149 0.77
SCHEMBL28998240 0.76 BACE1 (0.32) BACE1BTKADORA2AADORA1NTRK1
SCHEMBL28998197 0.76 BACE1 (0.40) BACE1EGLN2BTKAAK1ADORA2A
SCHEMBL24867498 0.74 LPAR1 (0.39) BACE1EGLN2BTK
Hydrochloric Acid SCHEMBL28998795 0.74

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-115942972-A LPA receptor antagonists and uses thereof 吉利德科学公司 2023-04-07 CN disclosed