SCHEMBL25599698

SCHEMBL25599698

COc1cnc(Cl)nc1-c1c[nH]c2cc(C#N)ccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 8/20 0.47
CCNH P51946 8/20 0.47
MNAT1 P51948 7/20 0.47
CCNK O75909 9/20 0.46
CDK12 Q9NYV4 9/20 0.46
CCNT1 O60563 4/20 0.46
CCNE1 P24864 4/20 0.46
CDK2 P24941 4/20 0.46
CDK9 P50750 4/20 0.46
GUSB P08236 2/20 0.43
PDE4B Q07343 1/20 0.43
KIT P10721 2/20 0.41
PLAU P00749 1/20 0.40
EGFR P00533 1/20 0.39
TDO2 P48775 1/20 0.39
MAP3K14 Q99558 1/20 0.39
PIKFYVE Q9Y2I7 1/20 0.39

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
SCHEMBL25600700 0.85 CCNK (0.48) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL28817250 0.83 CCNK (0.48) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25600703 0.83 CLK1 (0.52) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25599273 0.82 CCNK (0.60) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30007191 0.80 CCNK (0.60) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21178905 0.80 CCNK (0.60) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL17542563 0.80 CDK7 (0.54) CDK7CCNHMNAT1KITEGFR
SCHEMBL30957576 0.80 CDK7 (0.54) CDK7CCNHMNAT1KITEGFR
SCHEMBL30375181 0.73 DYRK1A (0.52) PDE4BEGFRTDO2MAP3K14
SCHEMBL20680053 0.73 DYRK1A (0.52) PDE4BEGFRTDO2MAP3K14

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-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 EP disclosed
CN-110036004-A Inhibitors of cyclin dependent kinase 7(CDK7) 希洛斯医药品股份有限公司 2019-07-19 CN disclosed