SCHEMBL28920249

SCHEMBL28920249

CC(C)(C)N(C(=O)O)c1cc(Cl)c(I)c(Br)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 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
SCHEMBL28920195 0.82 SOS1 (0.31)
SCHEMBL28920241 0.79 SOS1 (0.33)
SCHEMBL938017 0.79 CYP3A4 (0.33)
SCHEMBL28920275 0.78 AR (0.30)
SCHEMBL31667798 0.74 SOS1 (0.32)
SCHEMBL939505 0.73 HPGD (0.38)
SCHEMBL15413769 0.72 CXCR1 (0.32)
SCHEMBL1029350 0.72 CYP3A4 (0.42)
SCHEMBL8589226 0.70 ALOX15 (0.40)
SCHEMBL2082910 0.70 MEN1 (0.41)

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-115490709-A KRASG12D inhibitor and application thereof in medicine 四川海思科制药有限公司 2022-12-20 CN disclosed