SCHEMBL23609246

SCHEMBL23609246

C=CC(O)Nc1cccc(Nc2cc(N[C@H]3CC[C@H](N(C)C)CC3)nc3c(CC)cnn23)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 9/20 0.47
▸ CSNK2A1 P68400 2/20 0.45
▸ CCNT1 O60563 1/20 0.44
▸ CCNK O75909 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CCNH P51946 1/20 0.44
▸ MNAT1 P51948 1/20 0.44
▸ CDK13 Q14004 1/20 0.44
▸ CDK12 Q9NYV4 1/20 0.44
▸ CSNK2A2 P19784 10/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ GSK3B P49841 6/20 0.42

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
SCHEMBL20286068 0.87 CDK2 (0.50) CDK2CSNK2A1CCNT1CCNKCCNE1
SCHEMBL20549662 0.87 CDK2 (0.58) CDK2CSNK2A1CCNT1CCNKCCNE1
SCHEMBL18313115 0.87 CDK2 (0.58) CDK2CSNK2A1CCNT1CCNKCCNE1
SCHEMBL21472931 0.85 CSNK2A1 (0.63) CDK2CSNK2A1CCNT1CCNKCCNE1
SCHEMBL20549734 0.84 CDK2 (0.48) CDK2CSNK2A1CSNK2A2CSNK2BGSK3B
SCHEMBL20549736 0.84 CDK2 (0.48) CDK2CSNK2A1CSNK2A2CSNK2BGSK3B
SCHEMBL18313497 0.82 CDK2 (0.53) CDK2CSNK2A1CCNT1CCNKCCNE1
SCHEMBL20549702 0.82 CDK2 (0.53) CDK2CSNK2A1CCNT1CCNKCCNE1
SCHEMBL21473063 0.79 CSNK2A1 (0.57) CDK2CSNK2A1CCNT1CCNKCCNE1
SCHEMBL20549689 0.78 CDK2 (0.54) CDK2CSNK2A1CCNT1CCNKCCNE1

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-2021133601-A1 THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-01 — — WO disclosed
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