SCHEMBL16665153

SCHEMBL16665153

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.50
▸ CCNH P51946 15/20 0.50
▸ CCNT1 O60563 15/20 0.50
▸ CDK9 P50750 15/20 0.50
▸ MNAT1 P51948 13/20 0.50
▸ CCNK O75909 13/20 0.48
▸ CDK12 Q9NYV4 13/20 0.48
▸ CDK2 P24941 10/20 0.48
▸ CCNE1 P24864 3/20 0.48
▸ CCNA2 P20248 7/20 0.45
▸ CDK13 Q14004 4/20 0.43
▸ RPS6KA3 P51812 1/20 0.42
▸ MAP2K7 O14733 2/20 0.42
▸ AURKA O14965 1/20 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
SCHEMBL16655065 0.91 CDK7 (0.59) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL18069838 0.91 CDK7 (0.59) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL23336347 0.91 CDK7 (0.59) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL16665144 0.83 CCNT1 (0.47) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL20416156 0.83 CDK7 (0.55) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL16665167 0.79 CDK7 (0.62) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL18069831 0.76 CDK7 (0.55) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL16665168 0.76 CDK7 (0.55) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL23336346 0.76 CDK7 (0.55) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL19600368 0.75 CCNK (0.58) CDK7CCNHCCNT1CDK9MNAT1

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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