SCHEMBL31362368

SCHEMBL31362368

CN(C)C(=O)CN1CCc2cc(Br)cnc2C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
ABHD6 Q9BV23 1/20 0.38
ALK Q9UM73 6/20 0.36
INSR P06213 4/20 0.36
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
CDK6 Q00534 1/20 0.36
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
TLR9 Q9NR96 3/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
HTR6 P50406 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
WEE1 P30291 1/20 0.34
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL31362450 0.91 DRD2 (0.42) DRD2ABHD6ALKINSRCDK4
SCHEMBL31362571 0.84 DRD2 (0.46) DRD2ALKINSRCDK4CDK2
SCHEMBL31108121 0.80 ABHD6 (0.41) DRD2ABHD6CCNT1CDK9MEN1
SCHEMBL31362508 0.75 DRD2 (0.44) DRD2ALKINSRCDK4CDK2
SCHEMBL27975062 0.73 MAPT (0.38) ABHD6
SCHEMBL28511316 0.72 ABHD6 (0.49) ABHD6HSP90AA1
SCHEMBL17141806 0.71 MAPK1 (0.40)
SCHEMBL31528387 0.69 ABHD6 (0.47) ABHD6
SCHEMBL20910192 0.69 MEN1 (0.49) DRD2MEN1KMT2A
SCHEMBL1640454 0.68 HSP90AB1 (0.40) ABHD6

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-2025034858-A1 FUSED PYRIDINES FOR THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2025-02-13 WO disclosed