SCHEMBL16665144

SCHEMBL16665144

C=CC(=O)Nc1ccc(CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@@H](Nc3ncc(C)c(-c4n[nH]c5ccccc45)n3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 16/20 0.47
▸ CDK9 P50750 16/20 0.47
▸ CDK7 P50613 15/20 0.47
▸ CCNH P51946 15/20 0.47
▸ MNAT1 P51948 13/20 0.47
▸ CCNK O75909 13/20 0.42
▸ CDK12 Q9NYV4 13/20 0.42
▸ CDK2 P24941 10/20 0.42
▸ CCNE1 P24864 3/20 0.42
▸ CCNA2 P20248 7/20 0.41
▸ CDK13 Q14004 5/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ MAPK3 P27361 2/20 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
SCHEMBL16665168 0.93 CDK7 (0.55) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL18069831 0.93 CDK7 (0.55) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL23336346 0.93 CDK7 (0.55) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16665153 0.83 CDK7 (0.50) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16665107 0.82 CDK7 (0.48) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL18069836 0.82 CDK7 (0.48) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL18069834 0.80 CDK7 (0.42) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16665109 0.80 CDK7 (0.42) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL18047277 0.77 CDK7 (0.49) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL18047288 0.77 CDK7 (0.38) CCNT1CDK9CDK7CCNHMNAT1

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-2015058140-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-23 — — WO disclosed
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