SCHEMBL28868784

SCHEMBL28868784

COc1cc2nc(C)nc(O)c2cc1C1=CCN(C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 3/20 0.48
QDPR P09417 1/20 0.40
CASP1 P29466 1/20 0.38
HBB P68871 1/20 0.38
FGFR4 P22455 2/20 0.37
CCNT1 O60563 9/20 0.36
CDK9 P50750 9/20 0.36
SUV39H2 Q9H5I1 2/20 0.36
MAPT P10636 1/20 0.36
PSMB5 P28074 1/20 0.35

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
SCHEMBL29892387 0.87 SOS1 (0.47) SOS1
SCHEMBL27118608 0.87 SOS1 (0.47) SOS1
SCHEMBL28868855 0.84 ACHE (0.41) SOS1QDPRFGFR4CCNT1CDK9
SCHEMBL27143571 0.79 SOS1 (0.49) SOS1QDPRMAPT
SCHEMBL28891923 0.78 SOS1 (0.44) SOS1QDPRFGFR4CCNT1CDK9
SCHEMBL30014528 0.77 PSMB5 (0.59) SOS1PSMB5
SCHEMBL4335947 0.75 QDPR (0.48) QDPRCCNT1CDK9MAPT
SCHEMBL27124483 0.74 SOS1 (0.48) SOS1CCNT1CDK9PSMB5
SCHEMBL30015103 0.73 SOS1 (0.51) SOS1
SCHEMBL30014724 0.72 SOS1 (0.49) SOS1

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-115232114-B SOS1 degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2023-12-19 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