SCHEMBL30533876

SCHEMBL30533876

C=CC(=O)Nc1ccc2c(c1)nc([C@H]1CCC[C@@H](Nc3ncc(C#N)c(OC)n3)C1)n2CCO

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK12 Q9NYV4 14/20 0.53
▸ CCNK O75909 13/20 0.53
▸ CDK13 Q14004 1/20 0.41
▸ CCNA2 P20248 8/20 0.40
▸ CDK2 P24941 8/20 0.40
▸ CDK7 P50613 8/20 0.40
▸ CCNH P51946 8/20 0.40
▸ MNAT1 P51948 8/20 0.40
▸ EGFR P00533 3/20 0.40
▸ JAK3 P52333 1/20 0.39

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
SCHEMBL25221073 1.00 CDK12 (0.53) CDK12CCNKCDK13CCNA2CDK2
SCHEMBL30533943 0.92 CCNK (0.51) CDK12CCNKCDK13CCNA2CDK2
SCHEMBL25223841 0.92 CCNK (0.51) CDK12CCNKCDK13CCNA2CDK2
SCHEMBL30533789 0.91 CDK12 (0.56) CDK12CCNKCDK13CCNA2CDK2
SCHEMBL25268914 0.91 CDK12 (0.56) CDK12CCNKCDK13CCNA2CDK2
SCHEMBL25674634 0.85 CDK12 (0.58) CDK12CCNKCDK13CCNA2CDK2
SCHEMBL25220788 0.83 CCNK (0.47) CDK12CCNKCDK13CCNA2CDK2
SCHEMBL30533842 0.82 CCNK (0.43) CDK12CCNKCCNA2CDK2CDK7
SCHEMBL25220111 0.82 CCNK (0.43) CDK12CCNKCCNA2CDK2CDK7
SCHEMBL25218676 0.82 CDK12 (0.58) CDK12CCNKCDK13CCNA2CDK2

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
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 — — WO claimed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 — — WO disclosed
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