SCHEMBL31374181

SCHEMBL31374181

COC(=O)c1cnc(C(C)C)n1NC(=O)NC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
MLYCD O95822 2/20 0.33
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MAPK1 P28482 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
SCHEMBL17611087 0.79 RAB9A (0.41) HTTMLYCDMEN1RAB9AKMT2A
SCHEMBL17611061 0.70 ALDH1A1 (0.46) HTTMEN1RAB9AKMT2A
SCHEMBL12247426 0.70 HTT (0.58) HTTMLYCDMEN1RAB9AKMT2A
SCHEMBL17604235 0.68 HTT (0.43) HTTMLYCDMEN1RAB9AKMT2A
SCHEMBL21879981 0.65 RAB9A (0.46) HTTMEN1RAB9AKMT2ACYP11B1
SCHEMBL21879877 0.63 HTT (0.47) HTTMEN1RAB9AKMT2AMAPK1
SCHEMBL25327703 0.62 MAPK14 (0.33)
SCHEMBL31138709 0.60 OPRK1 (0.37) MEN1RAB9AKMT2AMAPK1
SCHEMBL30664848 0.60 ATR (0.38) HTTMEN1KMT2AMAPK1
SCHEMBL24559139 0.60 ALDH1A1 (0.39) HTTMEN1RAB9AKMT2AMAPK1

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-2025024726-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE KINNATE BIOPHARMA INC. (US) 2025-01-30 WO disclosed