SCHEMBL27100482

SCHEMBL27100482

C=Cc1cnc(NC(C)=O)s1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 9/20 0.44
CDK2 P24941 9/20 0.44
CDK4 P11802 4/20 0.44
CDK1 P06493 3/20 0.44
CCNE2 O96020 8/20 0.44
CCND1 P24385 3/20 0.43
CCNB2 O95067 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNB3 Q8WWL7 2/20 0.43
OGA O60502 6/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GSTO1 P78417 1/20 0.40

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
SCHEMBL4100380 0.84 CSNK2A2 (0.46) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL185115 0.79 CA1 (0.44) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL13091410 0.75 AOC3 (0.40) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL17065251 0.74 ALDH1A1 (0.39)
SCHEMBL2175131 0.74 RAB9A (0.60) CCNE1CDK2CDK4CDK1LMNA
SCHEMBL5726205 0.74 SMN1; SMN2 (0.45) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL5725304 0.74 SMN1; SMN2 (0.45) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL5725310 0.74 SMN1; SMN2 (0.45) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL23657121 0.73 MAPT (0.58) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL13091419 0.73 OGA (0.37) CCNE1CDK2CDK4CDK1CCNE2

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
EP-4327814-A2 MORPHOLINYL, PIPERAZINYL, OXAZEPANYL AND DIAZEPANYL O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2024-02-28 EP disclosed