SCHEMBL30834704

SCHEMBL30834704

COc1ccc2[nH]cc(C3=C(c4cn(C)c5ccccc45)C(=O)N(c4ccccc4)C3=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.57
CDK9 P50750 2/20 0.57
PIM1 P11309 1/20 0.57
CAMK2D Q13557 2/20 0.55
CCNE2 O96020 3/20 0.53
CDK4 P11802 3/20 0.53
CCND1 P24385 3/20 0.53
CCNE1 P24864 3/20 0.53
CDK2 P24941 3/20 0.53
PRKACA P17612 2/20 0.53
PRKACG P22612 2/20 0.53
PRKACB P22694 2/20 0.53
PRKCA P17252 3/20 0.52
GSK3B P49841 3/20 0.52
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
HTR5A P47898 1/20 0.46
PLK4 O00444 1/20 0.46
NUAK1 O60285 1/20 0.46
SRC P12931 1/20 0.46

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
SCHEMBL30834685 0.86 CCNT1 (0.74) CCNT1CDK9PIM1CAMK2DCCNE2
SCHEMBL30834701 0.86 CAMK2D (0.74) CCNT1CDK9PIM1CAMK2DCCNE2
SCHEMBL8464191 0.82 CCNT1 (0.52) CCNT1CDK9PIM1CAMK2DCCNE2
SCHEMBL8464380 0.82 PRKD1 (0.61) CCNT1CDK9PIM1CAMK2DCCNE2
SCHEMBL18392213 0.81 CAMK2D (0.53) CCNT1CDK9PIM1CAMK2DCCNE2
SCHEMBL8477009 0.81 CCNT1 (0.51) CCNT1CDK9PIM1CAMK2DCCNE2
SCHEMBL30834693 0.80 CCNE2 (0.74) CCNT1CDK9PIM1CAMK2DCCNE2
SCHEMBL8074697 0.78 PRKD1 (0.58) CCNT1CDK9PIM1CAMK2DCCNE2
SCHEMBL28374335 0.77 GSK3B (0.48) PRKCAGSK3BLMNAMAPTSMN1; SMN2
SCHEMBL28554172 0.77 IDH1 (0.45) PIM1CAMK2DCDK4CCND1GSK3B

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
CN-117886799-A Protein degradation targeting chimeric compound for targeting degradation of GSK-3 beta and application thereof 浙江工业大学 2024-04-16 CN disclosed