SCHEMBL31362450

SCHEMBL31362450

CN(C)C(=O)CN1CCc2ncc(Br)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
CDK4 P11802 1/20 0.40
CDK2 P24941 1/20 0.40
CDK6 Q00534 1/20 0.40
ABHD6 Q9BV23 1/20 0.39
ALK Q9UM73 4/20 0.36
ADORA2A P29274 1/20 0.36
TLR9 Q9NR96 3/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
MAPT P10636 1/20 0.35
HTR6 P50406 1/20 0.35
INSR P06213 2/20 0.35
CASP3 P42574 1/20 0.35
CDK9 P50750 1/20 0.35
CASP7 P55210 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
WEE1 P30291 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL31362368 0.91 DRD2 (0.44) DRD2CDK4CDK2CDK6ABHD6
SCHEMBL31362508 0.84 DRD2 (0.44) DRD2CDK4CDK2CDK6ALK
SCHEMBL27975062 0.82 MAPT (0.38) ABHD6ADORA2AMAPT
SCHEMBL1640454 0.78 HSP90AB1 (0.40) ABHD6ADORA2AMAPT
SCHEMBL31362571 0.75 DRD2 (0.46) DRD2CDK4CDK2CDK6ALK
SCHEMBL15309449 0.74 ABHD6 (0.49) ABHD6
SCHEMBL723952 0.72 ABHD6 (0.49) ABHD6GRM5
SCHEMBL17141806 0.72 MAPK1 (0.40)
SCHEMBL8022098 0.71 CYP2C19 (0.44) ABHD6ADORA2AMAPTKMT2A
SCHEMBL30033295 0.71 CYP2C19 (0.44) ABHD6ADORA2AMAPTKMT2A

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