SCHEMBL30677346

SCHEMBL30677346

CC(C)n1ccc2nc(Cl)nc(Cl)c21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.33
CCNA2 P20248 4/20 0.32
CDK2 P24941 4/20 0.32
CCNA1 P78396 4/20 0.32
CDK5 Q00535 3/20 0.32
DYRK1A Q13627 3/20 0.32
CDK5R1 Q15078 3/20 0.32
CDK1 P06493 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL24976903 0.82 HTR2A (0.47)
SCHEMBL24976554 0.82 HTR2A (0.47)
SCHEMBL24400355 0.75 HTR2C (0.47)
SCHEMBL3484896 0.74 IRAK4 (0.47) IRAK4DYRK1ACDK1PDE4B
SCHEMBL20996052 0.74 NPC1 (0.32)
SCHEMBL24074319 0.73
SCHEMBL24400884 0.73
SCHEMBL30095873 0.73 CDK1 (0.38) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL18359327 0.73 CYP19A1 (0.33)
SCHEMBL2314716 0.73 CDK1 (0.38) CCNA2CDK2CCNA1CDK5DYRK1A

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-2024014885-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF 일동제약(주) 2024-01-18 WO disclosed