SCHEMBL29746692

SCHEMBL29746692

O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.48
▸ CCNT1 O60563 12/20 0.48
▸ CDK9 P50750 12/20 0.48
▸ CCNH P51946 10/20 0.48
▸ MNAT1 P51948 7/20 0.48
▸ CCNK O75909 7/20 0.47
▸ CDK12 Q9NYV4 7/20 0.47
▸ CDK13 Q14004 4/20 0.47
▸ CDK2 P24941 7/20 0.44
▸ CCNA2 P20248 3/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ CCNE1 P24864 4/20 0.42
▸ EGFR P00533 4/20 0.37
▸ CRBN Q96SW2 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
SCHEMBL22654520 1.00 CDK7 (0.48) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20191043 1.00 CDK7 (0.48) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20209310 0.91 CDK7 (0.53) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20190962 0.91 CDK7 (0.53) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20209562 0.90 CDK7 (0.51) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20209673 0.89 CDK7 (0.49) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17688386 0.88 CDK7 (0.55) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL18047281 0.87 CDK7 (0.46) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL16654840 0.86 CDK7 (0.53) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL16654926 0.85 CDK7 (0.45) CDK7CCNT1CDK9CCNHMNAT1

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-3544971-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA FARBER CANCER INST INC (US) 2022-07-06 — — EP disclosed
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