SCHEMBL28848486

SCHEMBL28848486

CC1CNCCN1c1ccc(-c2cc(=O)c3c(O)cc(OCc4ccccc4)c(OC4CCN(C)CC4)c3o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 9/20 0.51
CDK2 P24941 7/20 0.51
MET P08581 1/20 0.51
USP8 P40818 7/20 0.48
CCNT1 O60563 8/20 0.46
CCNA2 P20248 6/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CDK7 P50613 1/20 0.46
CCNH P51946 1/20 0.46
MNAT1 P51948 1/20 0.46
CDK6 Q00534 1/20 0.46
ACHE P22303 2/20 0.40
PLK1 P53350 1/20 0.40
BACE1 P56817 1/20 0.40
BCHE P06276 1/20 0.39

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
SCHEMBL28848512 0.87 USP8 (0.62) CDK9CDK2USP8CCNT1CCNA2
SCHEMBL28848489 0.85 CDK9 (0.55) CDK9CDK2METUSP8CCNT1
SCHEMBL28848530 0.79 USP8 (0.54) CDK9CDK2METUSP8CCNT1
SCHEMBL28848479 0.74 PARP1 (0.52) CDK9CDK2METUSP8CCNT1
SCHEMBL28848511 0.73 USP8 (0.70) CDK9CDK2METUSP8CCNT1
SCHEMBL28848519 0.72 USP8 (0.55) CDK9CDK2METUSP8CCNT1
SCHEMBL22667243 0.71 USP8 (0.77) CDK9CDK2USP8CCNT1CCNA2
SCHEMBL21335354 0.71 ACHE (0.77) CDK9CDK2METCCNT1CCNA2
SCHEMBL29195639 0.71 CDK2 (0.41) CDK9CDK2METCCNT1CCNA2
SCHEMBL28848493 0.70 CDK2 (0.42) CDK9CDK2METCCNT1CCNA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957182-B USP8 inhibitor containing flavone skeleton structure and application thereof 中国药科大学 2024-03-15 CN disclosed
CN-114957182-A USP8 inhibitor containing flavone skeleton structure and application thereof 中国药科大学 2022-08-30 CN disclosed