SCHEMBL31362571

SCHEMBL31362571

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
CCNT1 O60563 4/20 0.36
CDK9 P50750 4/20 0.36
HTR6 P50406 1/20 0.36
ALK Q9UM73 7/20 0.35
INSR P06213 5/20 0.35
WEE1 P30291 1/20 0.35
TLR9 Q9NR96 3/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
CDK4 P11802 1/20 0.34
CDK2 P24941 1/20 0.34
CDK6 Q00534 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
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
SCHEMBL31362508 0.91 DRD2 (0.44) DRD2CCNT1CDK9HTR6ALK
SCHEMBL31362368 0.84 DRD2 (0.44) DRD2CCNT1CDK9HTR6ALK
SCHEMBL31362450 0.75 DRD2 (0.42) DRD2CDK9HTR6ALKINSR
SCHEMBL31362283 0.69 PDCD1 (0.38) DRD2
SCHEMBL20910192 0.68 MEN1 (0.49) DRD2MEN1KMT2A
SCHEMBL12706843 0.67 KDM4E (0.44) MEN1KMT2A
SCHEMBL24752579 0.66 CYP2C19 (0.44) MEN1KMT2AHSP90AA1
SCHEMBL30032785 0.66 CYP2C19 (0.44) MEN1KMT2AHSP90AA1
Hydrochloric Acid SCHEMBL1014208 0.66 KDM4E (0.43) MEN1KMT2A
SCHEMBL24478250 0.65 DRD2 (0.45) DRD2WEE1MEN1KMT2AHSP90AA1

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