SCHEMBL29139952

SCHEMBL29139952

COC(=O)c1ccc(B(O)O)cc1Oc1cnc2[nH]ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.47
BCL2L1 Q07817 3/20 0.47
CDK8 P49336 7/20 0.45
KDR P35968 3/20 0.40
TNIK Q9UKE5 2/20 0.40
ABL1 P00519 1/20 0.39
ALK Q9UM73 1/20 0.38
FGFR1 P11362 1/20 0.38
BRD4 O60885 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
SCHEMBL19341716 0.84 BCL2 (0.49) BCL2BCL2L1CDK8KDRTNIK
SCHEMBL20578175 0.84 BCL2 (0.49) BCL2BCL2L1CDK8KDRTNIK
SCHEMBL29398024 0.84 BCL2 (0.49) BCL2BCL2L1CDK8KDRTNIK
SCHEMBL523456 0.84 CDK8 (0.49) BCL2BCL2L1CDK8KDRTNIK
SCHEMBL31427495 0.84 CDK8 (0.49) BCL2BCL2L1CDK8KDRTNIK
SCHEMBL19867779 0.83 BCL2 (0.48) BCL2BCL2L1CDK8KDRTNIK
SCHEMBL19867929 0.83 CDK8 (0.52) BCL2BCL2L1CDK8KDRTNIK
SCHEMBL19839529 0.78 BCL2 (0.51) BCL2BCL2L1CDK8ALK
SCHEMBL1702063 0.78 BCL2 (0.50) BCL2BCL2L1CDK8ABL1ALK
SCHEMBL19867786 0.78 BCL2 (0.50) BCL2BCL2L1

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-117683029-A Bcl-2 inhibitors 百济神州有限公司 2024-03-12 CN disclosed
CN-117430601-A Bcl-2 inhibitors 百济神州有限公司 2024-01-23 CN disclosed
CN-112437772-B Bcl-2 inhibitors 百济神州有限公司 2023-11-21 CN disclosed