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Sugi Predict / Compounds / SCHEMBL21184433

SCHEMBL21184433

SCHEMBL21184433

Cc1noc(C)c1-c1ccc2c(-c3nc(NC4CCCC4)ncc3C(F)(F)F)cn(S(=O)(=O)c3ccccc3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 11/20 0.55
▸ CCNH P51946 11/20 0.55
▸ CCNE1 P24864 10/20 0.55
▸ CDK2 P24941 10/20 0.55
▸ CCNK O75909 10/20 0.55
▸ CDK12 Q9NYV4 10/20 0.55
▸ CCNT1 O60563 9/20 0.55
▸ CDK9 P50750 9/20 0.55
▸ MNAT1 P51948 6/20 0.44
▸ BRD4 O60885 4/20 0.41

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
SCHEMBL21184338 0.99 CDK7 (0.55) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL21178547 0.91 CDK7 (0.49) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL24176292 0.90 CDK7 (0.47) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL21179042 0.90 CDK7 (0.47) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL24176480 0.90 CDK7 (0.47) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL21188470 0.90 CDK7 (0.52) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL21179217 0.90 CDK7 (0.47) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL24176266 0.90 CDK7 (0.47) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL21184613 0.90 CDK7 (0.47) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL21178885 0.90 CDK7 (0.47) CDK7CCNHCCNE1CDK2CCNK

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-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed