SCHEMBL26521171

SCHEMBL26521171

C=CC(=O)NC1CCCC(Nc2cc(N3CCCCC3)nc3c(CC)cnn23)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 5/20 0.48
▸ CDK7 P50613 5/20 0.48
▸ CDK2 P24941 4/20 0.48
▸ CDK12 Q9NYV4 3/20 0.48
▸ CCNH P51946 3/20 0.48
▸ MNAT1 P51948 3/20 0.48
▸ CCNT1 O60563 2/20 0.48
▸ CCNK O75909 2/20 0.48
▸ CCNE1 P24864 2/20 0.48
▸ CDK13 Q14004 2/20 0.48
▸ JAK3 P52333 6/20 0.38
▸ CDK5 Q00535 3/20 0.37
▸ CDK1 P06493 3/20 0.37
▸ GSK3A P49840 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ TAOK1 Q7L7X3 2/20 0.37
▸ CCNT2 O60583 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ CCNE2 O96020 1/20 0.37

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
SCHEMBL18122680 0.85 CDK9 (0.67) CDK9CDK7CDK2CDK12CCNH
SCHEMBL20549443 0.85 CDK9 (0.67) CDK9CDK7CDK2CDK12CCNH
SCHEMBL20549440 0.77 CDK9 (0.70) CDK9CDK7CDK2CDK12CCNH
SCHEMBL20549444 0.77 CDK9 (0.70) CDK9CDK7CDK2CDK12CCNH
SCHEMBL18122648 0.77 CDK9 (0.70) CDK9CDK7CDK2CDK12CCNH
SCHEMBL18122655 0.77 CDK9 (0.70) CDK9CDK7CDK2CDK12CCNH
SCHEMBL26521561 0.75 CCNT1 (0.72) CDK9CDK7CDK2CDK12CCNH
SCHEMBL27383991 0.74 TYK2 (0.46) CDK9CDK7CDK2CDK12CCNH
SCHEMBL20549636 0.73 CSNK2A1 (0.46) CDK9CDK7CDK2CDK12CCNH
SCHEMBL18122195 0.73 CSNK2A1 (0.46) CDK9CDK7CDK2CDK12CCNH

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
EP-3273966-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA FARBER CANCER INST INC (US) 2023-05-03 — — EP disclosed
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