SCHEMBL16665644

SCHEMBL16665644

CC(C)C(=O)OC(=O)C1CNCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 15/20 0.68
▸ CCNK O75909 10/20 0.68
▸ CDK12 Q9NYV4 10/20 0.68
▸ CCNT1 O60563 8/20 0.68
▸ CDK9 P50750 8/20 0.68
▸ CCNE1 P24864 8/20 0.68
▸ CDK7 P50613 8/20 0.68
▸ CCNH P51946 7/20 0.68
▸ MNAT1 P51948 6/20 0.68
▸ MAPK8 P45983 9/20 0.60
▸ MAPK9 P45984 9/20 0.60
▸ MAPK10 P53779 6/20 0.60
▸ CRBN Q96SW2 1/20 0.59
▸ JUN P05412 8/20 0.59

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
SCHEMBL16655362 0.86 CDK2 (0.75) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL16655043 0.84 MAPK8 (0.60) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25329765 0.82 CDK2 (0.83) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL24839452 0.81 CDK2 (1.00) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL24839800 0.81 CDK2 (1.00) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL30204003 0.81 CDK2 (1.00) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL16665623 0.79 CDK7 (0.68) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL16655099 0.79 CCNT1 (0.69) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL16655186 0.79 CCNT1 (0.69) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL21397482 0.79 CCNT1 (0.69) CDK2CCNKCDK12CCNT1CDK9

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-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 — — WO disclosed
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