SCHEMBL21747559

SCHEMBL21747559

NC1CCC(N)(c2cc(-c3csc(NCC4CCOCC4)n3)c(Cl)cn2)CC1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNK O75909 17/20 0.74
CDK9 P50750 17/20 0.74
CCNT1 O60563 3/20 0.47

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
SCHEMBL21747537 0.85 CCNK (1.00) CCNKCDK9CCNT1
SCHEMBL21747539 0.85 CCNK (1.00) CCNKCDK9CCNT1
SCHEMBL28408979 0.84 CCNK (0.76) CCNKCDK9CCNT1
SCHEMBL1225395 0.84 CCNT1 (0.64) CCNKCDK9CCNT1
SCHEMBL23125450 0.83 CCNK (1.00) CCNKCDK9CCNT1
SCHEMBL21747568 0.83 CCNK (1.00) CCNKCDK9CCNT1
SCHEMBL23125449 0.83 CCNK (1.00) CCNKCDK9CCNT1
SCHEMBL12466095 0.83 CCNT1 (0.59) CCNKCDK9CCNT1
SCHEMBL28414447 0.82 CCNK (0.77) CCNKCDK9
SCHEMBL12465693 0.81 CCNT1 (0.71) CCNKCDK9CCNT1

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
CN-108727363-B Novel cyclin dependent kinase CDK9 inhibitor 劲方医药科技(上海)有限公司 2020-06-19 CN disclosed
EP-3613737-A1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 Genfleet Therapeutics (Shanghai) Inc. (CN) 2020-02-26 EP disclosed