SCHEMBL25528708

SCHEMBL25528708

C=Cc1nc(N[C@@H]2CCC[C@H](c3nnc4ccccn34)C2)ncc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 5/20 0.53
▸ CDK12 Q9NYV4 5/20 0.53
▸ CDK7 P50613 4/20 0.53
▸ CCNH P51946 4/20 0.53
▸ MNAT1 P51948 4/20 0.53
▸ CCNT1 O60563 4/20 0.53
▸ CCNE1 P24864 4/20 0.53
▸ CDK2 P24941 4/20 0.53
▸ CDK9 P50750 4/20 0.53
▸ ULK1 O75385 1/20 0.43
▸ MAPK3 P27361 12/20 0.42
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ FGFR3 P22607 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
SCHEMBL25528798 0.93 CCNK (0.53) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25523019 0.88 CCNK (0.54) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25528330 0.88 CCNK (0.54) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30396054 0.88 CCNK (0.54) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25529433 0.88 CCNK (0.54) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25419507 0.88 CCNK (0.54) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25540418 0.88 CCNK (0.56) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25520628 0.88 CCNK (0.54) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30396294 0.86 CCNK (0.51) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30397996 0.85 CCNK (0.51) 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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