SCHEMBL21178697

SCHEMBL21178697

Cc1noc(-c2ccc3c(-c4nc(N[C@H]5CCCN(C(=O)O)C5)ncc4C(F)(F)F)cn(S(=O)(=O)c4ccccc4)c3n2)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 8/20 0.42
CCNH P51946 8/20 0.42
MNAT1 P51948 6/20 0.42
MAPK3 P27361 8/20 0.42
CCNK O75909 8/20 0.41
CDK12 Q9NYV4 7/20 0.41
CDK2 P24941 8/20 0.41
CCNE1 P24864 7/20 0.41
CCNT1 O60563 5/20 0.41
CDK9 P50750 5/20 0.41
CCNA2 P20248 1/20 0.41
CDK13 Q14004 1/20 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
SCHEMBL29509180 0.93 CDK7 (0.40) CDK7CCNHMNAT1MAPK3CCNK
SCHEMBL21178547 0.90 CDK7 (0.49) CDK7CCNHMNAT1MAPK3CCNK
SCHEMBL29083547 0.86 MAPK3 (0.46) CDK7CCNHMNAT1MAPK3CCNK
SCHEMBL29083562 0.86 MAPK3 (0.46) CDK7CCNHMNAT1MAPK3CCNK
SCHEMBL21178557 0.85 CDK7 (0.44) CDK7CCNHMNAT1MAPK3CCNK
SCHEMBL21178917 0.83 CCNK (0.42) CDK7CCNHMNAT1MAPK3CCNK
SCHEMBL29509174 0.83 CDK7 (0.40) CDK7CCNHMNAT1MAPK3CCNK
SCHEMBL29509120 0.83 CDK7 (0.46) CDK7CCNHMNAT1MAPK3CCNK
SCHEMBL21178637 0.82 CCNK (0.56) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21184338 0.80 CDK7 (0.55) CDK7CCNHMNAT1CCNKCDK12

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
EP-3740207-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 EP disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed