SCHEMBL25600747

SCHEMBL25600747

CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(S)c(-c3cn(COCC[Si](C)(C)C)c4cc(C#N)ccc34)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.40
▸ CCNK O75909 3/20 0.40
▸ CDK12 Q9NYV4 3/20 0.40
▸ CCNT1 O60563 3/20 0.40
▸ CDK9 P50750 3/20 0.40
▸ CCNE1 P24864 2/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ JUN P05412 2/20 0.36
▸ MAPK8 P45983 2/20 0.36
▸ MAPK9 P45984 2/20 0.36
▸ MAPK10 P53779 2/20 0.36
▸ CDK7 P50613 4/20 0.36
▸ CCNH P51946 4/20 0.36
▸ MNAT1 P51948 4/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ GPR119 Q8TDV5 5/20 0.35
▸ CCNA2 P20248 1/20 0.35

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
SCHEMBL30204169 1.00 CDK2 (0.40) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL24087388 0.93 CCNK (0.49) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL29509168 0.93 CCNK (0.49) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25600726 0.93 CDK2 (0.39) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL30204074 0.93 CDK2 (0.39) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25600739 0.90 CDK2 (0.37) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL30204035 0.90 CDK2 (0.37) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL30203959 0.89 CCNK (0.43) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL30203949 0.83 CDK7 (0.42) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL30204091 0.82 CDK2 (0.42) 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
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
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