SCHEMBL24252408

SCHEMBL24252408

CN(C)C1OC(=O)C=C1c1ccncn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
CCNA1 P78396 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CYP2D6 P10635 1/20 0.31
GRM1 Q13255 1/20 0.30

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
SCHEMBL24252410 0.78 CCNT1 (0.33) GSK3BLMNAGAACCNT1CCNA2
SCHEMBL24252409 0.77 CCNT1 (0.33) GSK3BLMNAGAACCNT1CCNA2
SCHEMBL24252411 0.77 CYP2D6 (0.33) GSK3BLMNAGAACCNT1CCNA2
SCHEMBL24252217 0.73
SCHEMBL24252406 0.73 CYP2D6 (0.37) GSK3BLMNAGAACYP2D6
SCHEMBL24252371 0.73
SCHEMBL24252414 0.70 GSK3B (0.38) GSK3BCYP2D6
SCHEMBL24252407 0.70 GSK3B (0.40) GSK3BCYP2D6
SCHEMBL24252413 0.69 GSK3B (0.43) GSK3BCYP2D6
SCHEMBL2814353 0.62 HSP90AA1 (0.52) GSK3BLMNACCNT1CCNA2CDK2

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-2022034203-A1 PROCESS FOR THE PREPARATION OF PYRIDAZINONE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-02-17 WO disclosed