Sugi Predict

Sugi Predict / Compounds / SCHEMBL22667264

SCHEMBL22667264

SCHEMBL22667264

Cc1n[nH]c(C)c1Oc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCN(CCO)CC4)cc3)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP8 P40818 14/20 1.00
▸ CCNT1 O60563 5/20 0.85
▸ CDK9 P50750 5/20 0.85
▸ CCNA2 P20248 3/20 0.85
▸ CDK2 P24941 3/20 0.85
▸ USP2 O75604 1/20 0.74
▸ PARP1 P09874 1/20 0.52
▸ PARP2 Q9UGN5 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
SCHEMBL22667343 0.88 CCNT1 (1.00) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL28848507 0.85 USP8 (1.00) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667340 0.85 USP8 (1.00) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667253 0.84 USP8 (1.00) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667334 0.84 CCNT1 (1.00) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667341 0.83 USP8 (1.00) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667342 0.81 CCNT1 (0.85) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL28848498 0.75 USP8 (0.77) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667339 0.74 CCNT1 (0.70) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667248 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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