SCHEMBL22667247

SCHEMBL22667247

O=c1cc(-c2ccc(N3CCNCC3)cc2)oc2c(OC3CCNC3)c(O)cc(O)c12

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP8 P40818 14/20 0.78
CCNT1 O60563 5/20 0.68
CDK9 P50750 5/20 0.68
CCNA2 P20248 3/20 0.61
CDK2 P24941 3/20 0.61
CDK4 P11802 1/20 0.55
CCND1 P24385 1/20 0.55
CDK7 P50613 1/20 0.55
CCNH P51946 1/20 0.55
MNAT1 P51948 1/20 0.55
CDK6 Q00534 1/20 0.55
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52

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
SCHEMBL28848534 0.88 USP8 (0.98) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667235 0.88 USP8 (1.00) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667252 0.84 USP8 (0.92) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667249 0.81 CCNT1 (1.00) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667243 0.80 USP8 (0.77) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL28848512 0.79 USP8 (0.62) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667372 0.78 USP8 (1.00) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667343 0.76 CCNT1 (1.00) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667246 0.74 CCNT1 (0.83) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL28953790 0.74 USP8 (1.00) USP8CCNT1CDK9CCNA2CDK2

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 3 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
WO-2020228513-A1 NOVEL CDK9 INHIBITOR BASED ON BENZOPYRAN STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国药科大学 2020-11-19 WO disclosed