SCHEMBL22667258

SCHEMBL22667258

COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(C)CC4)cc3)oc2c1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 7/20 1.00
CDK9 P50750 7/20 1.00
CCNA2 P20248 5/20 1.00
CDK2 P24941 5/20 1.00
CDK4 P11802 2/20 1.00
CCND1 P24385 2/20 1.00
CDK7 P50613 2/20 1.00
CCNH P51946 2/20 1.00
MNAT1 P51948 2/20 1.00
CDK6 Q00534 2/20 1.00
USP8 P40818 10/20 0.67
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
APP P05067 1/20 0.50
PARP1 P09874 1/20 0.48
PARP2 Q9UGN5 1/20 0.48

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
SCHEMBL22667227 0.95 CCNT1 (0.91) CCNT1CDK9CCNA2CDK2CDK4
SCHEMBL22667228 0.92 CCNT1 (0.85) CCNT1CDK9CCNA2CDK2CDK4
SCHEMBL22667394 0.92 CCNT1 (0.84) CCNT1CDK9CCNA2CDK2CDK4
SCHEMBL22667374 0.91 CCNT1 (0.83) CCNT1CDK9CCNA2CDK2CDK4
SCHEMBL22667441 0.91 CCNT1 (0.83) CCNT1CDK9CCNA2CDK2CDK4
SCHEMBL22667451 0.89 CCNT1 (0.80) CCNT1CDK9CCNA2CDK2CDK4
SCHEMBL22667232 0.88 CCNT1 (0.78) CCNT1CDK9CCNA2CDK2CDK4
SCHEMBL22667362 0.87 CCNT1 (0.77) CCNT1CDK9CCNA2CDK2CDK4
SCHEMBL22667231 0.86 CCNT1 (0.75) CCNT1CDK9CCNA2CDK2CDK4
SCHEMBL22667346 0.84 CCNT1 (0.72) CCNT1CDK9CCNA2CDK2CDK4

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
WO-2025217597-A1 A CDK9 INHIBITOR FOR USE IN THE TREATMENT OF CANCER IN A SUBJECT HAVING AN ASXL1 MUTATION Sellas Life Sciences Group, Inc. (US) 2025-10-16 WO 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