SCHEMBL31064293

SCHEMBL31064293

C=C(F)C(=O)N1CCC(OC(=O)N2C3CCC2CC(Nc2nc(NC4CCOCC4)nc4c(C(C)C)cnn24)C3)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 17/20 0.47
CCNH P51946 15/20 0.47
MNAT1 P51948 15/20 0.47
CDK2 P24941 5/20 0.45
CDK9 P50750 5/20 0.45
CDK4 P11802 2/20 0.45

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
SCHEMBL31064296 0.87 CDK7 (0.50) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL31064123 0.84 CDK2 (0.48) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL31064059 0.82 CDK7 (0.55) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL31064129 0.81 CDK2 (0.48) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL31064076 0.80 CDK2 (0.53) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL31064064 0.80 CDK2 (0.57) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL31064166 0.77 CDK2 (0.49) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL30865954 0.76 CDK2 (0.56) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL23547346 0.74 CDK9 (0.51) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL31064163 0.74 CDK9 (0.53) CDK7CCNHMNAT1CDK2CDK9

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-2024175024-A1 NEW FUSED HETEROCYCLIC COMPOUND AS CDKS INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2024-08-29 WO disclosed