SCHEMBL25522973

SCHEMBL25522973

FC(F)(F)c1cnc(N[C@@H]2CCC[C@H](c3nnc4cc(Br)ccn34)C2)nc1OC1COC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNK O75909 7/20 0.40
CDK12 Q9NYV4 7/20 0.40
CDK2 P24941 6/20 0.40
CDK7 P50613 5/20 0.40
CCNH P51946 5/20 0.40
MNAT1 P51948 5/20 0.40
CCNT1 O60563 5/20 0.40
CCNE1 P24864 5/20 0.40
CDK9 P50750 5/20 0.40
MAPK1 P28482 4/20 0.37
ULK1 O75385 2/20 0.37
KDR P35968 1/20 0.36
CDK1 P06493 1/20 0.35
FGFR3 P22607 1/20 0.34
PTK2 Q05397 1/20 0.34
MAPK3 P27361 2/20 0.31

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
SCHEMBL25522680 0.92 CCNK (0.40) CCNKCDK12CDK2CDK7CCNH
SCHEMBL30397890 0.90 CCNK (0.39) CCNKCDK12CDK2CDK7CCNH
SCHEMBL30397926 0.90 CCNK (0.39) CCNKCDK12CDK2CDK7CCNH
SCHEMBL30396777 0.89 CCNK (0.39) CCNKCDK12CDK2CDK7CCNH
SCHEMBL30397078 0.89 CCNK (0.39) CCNKCDK12CDK2CDK7CCNH
SCHEMBL25516172 0.89 CCNK (0.51) CCNKCDK12CDK2CDK7CCNH
SCHEMBL30397466 0.89 CCNK (0.51) CCNKCDK12CDK2CDK7CCNH
SCHEMBL30398094 0.89 CCNK (0.51) CCNKCDK12CDK2CDK7CCNH
SCHEMBL25230782 0.89 CCNK (0.38) CCNKCDK12CDK2CDK7CCNH
SCHEMBL30398125 0.89 PTK2 (0.39) CCNKCDK12CDK2CDK7CCNH

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
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed