SCHEMBL25523019

SCHEMBL25523019

FC(F)(F)c1cnc(N[C@@H]2CCC[C@H](c3nnc4ccccn34)C2)nc1I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 9/20 0.54
▸ CDK12 Q9NYV4 9/20 0.54
▸ CDK7 P50613 7/20 0.54
▸ CCNH P51946 7/20 0.54
▸ MNAT1 P51948 7/20 0.54
▸ CCNT1 O60563 7/20 0.54
▸ CDK9 P50750 7/20 0.54
▸ CCNE1 P24864 5/20 0.54
▸ CDK2 P24941 5/20 0.54
▸ ULK1 O75385 1/20 0.43
▸ MAPK3 P27361 4/20 0.38
▸ MAPK8 P45983 2/20 0.37
▸ MAPK9 P45984 2/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ FGFR3 P22607 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL30396054 0.89 CCNK (0.54) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25529433 0.89 CCNK (0.54) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25540418 0.89 CCNK (0.56) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25528330 0.89 CCNK (0.54) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25520628 0.89 CCNK (0.54) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25419507 0.89 CCNK (0.54) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25528708 0.88 CCNK (0.53) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25528798 0.88 CCNK (0.53) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25528804 0.87 CCNK (0.52) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25529244 0.87 CCNK (0.52) CCNKCDK12CDK7CCNHMNAT1

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
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