Sugi Predict

Sugi Predict / Compounds / SCHEMBL22667334

SCHEMBL22667334

SCHEMBL22667334

COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(C)CC4)cc3)oc2c1Oc1c(C)n[nH]c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 6/20 1.00
▸ CDK9 P50750 6/20 1.00
▸ CCNA2 P20248 5/20 1.00
▸ CDK2 P24941 5/20 1.00
▸ USP8 P40818 14/20 0.74
▸ USP2 O75604 1/20 0.67
▸ CDK4 P11802 2/20 0.62
▸ CCND1 P24385 2/20 0.62
▸ CDK7 P50613 2/20 0.62
▸ CCNH P51946 2/20 0.62
▸ MNAT1 P51948 2/20 0.62
▸ CDK6 Q00534 2/20 0.62

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
SCHEMBL22667342 0.92 CCNT1 (0.85) CCNT1CDK9CCNA2CDK2USP8
SCHEMBL22667264 0.84 USP8 (1.00) CCNT1CDK9CCNA2CDK2USP8
SCHEMBL22667343 0.83 CCNT1 (1.00) CCNT1CDK9CCNA2CDK2USP8
SCHEMBL22667241 0.81 CCNT1 (0.82) CCNT1CDK9CCNA2CDK2USP8
SCHEMBL28848507 0.81 USP8 (1.00) CCNT1CDK9CCNA2CDK2USP8
SCHEMBL22667340 0.80 USP8 (1.00) CCNT1CDK9CCNA2CDK2USP8
SCHEMBL22667248 0.80 USP8 (1.00) CCNT1CDK9CCNA2CDK2USP8
SCHEMBL28848498 0.78 USP8 (0.77) CCNT1CDK9CCNA2CDK2USP8
SCHEMBL22667394 0.78 CCNT1 (0.84) CCNT1CDK9CCNA2CDK2USP8
SCHEMBL22667258 0.77 CCNT1 (1.00) CCNT1CDK9CCNA2CDK2USP8

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