SCHEMBL28868855

SCHEMBL28868855

COc1cc2ncnc(O)c2cc1C1=CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
QDPR P09417 1/20 0.41
FGFR4 P22455 2/20 0.41
AURKA O14965 1/20 0.39
CCNT1 O60563 10/20 0.39
CDK9 P50750 10/20 0.39
PDGFRB P09619 2/20 0.38
SOS1 Q07889 2/20 0.38
MAPK7 Q13164 1/20 0.38

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
SCHEMBL29892098 0.87 GRM1 (0.47) CCNT1CDK9
SCHEMBL27137122 0.87 GRM1 (0.47) CCNT1CDK9
SCHEMBL28868784 0.84 SOS1 (0.48) QDPRFGFR4CCNT1CDK9SOS1
SCHEMBL21045954 0.74 QDPR (0.42) QDPRCCNT1CDK9
SCHEMBL4335947 0.73 QDPR (0.48) QDPRCCNT1CDK9
SCHEMBL29892387 0.72 SOS1 (0.47) SOS1
SCHEMBL27118608 0.72 SOS1 (0.47) SOS1
SCHEMBL29126391 0.71 CCNT1 (0.48) CCNT1CDK9
SCHEMBL20993990 0.70 MAPT (0.50) QDPRCCNT1CDK9
Hydrochloric Acid SCHEMBL28006468 0.70 EGFR (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022223034-A1 SOS1 DEGRADATION AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 WO disclosed
WO-2022223033-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 WO disclosed
WO-2022223039-A1 SOS1 DEGRADER, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 WO disclosed
CN-115232114-A SOS1 degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2022-10-25 CN disclosed
CN-115232111-A SOS1 degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2022-10-25 CN disclosed
CN-115232108-A SOS1 degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2022-10-25 CN disclosed