SCHEMBL25528804

SCHEMBL25528804

OCc1nc(N[C@@H]2CCC[C@H](c3nnc4ccccn34)C2)ncc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 8/20 0.52
▸ CDK12 Q9NYV4 8/20 0.52
▸ CCNT1 O60563 8/20 0.52
▸ CDK9 P50750 8/20 0.52
▸ CDK7 P50613 6/20 0.52
▸ CCNH P51946 6/20 0.52
▸ MNAT1 P51948 6/20 0.52
▸ CCNE1 P24864 6/20 0.52
▸ CDK2 P24941 6/20 0.52
▸ ULK1 O75385 1/20 0.41
▸ MAPK3 P27361 8/20 0.39
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ FGFR3 P22607 1/20 0.36

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
SCHEMBL25529244 0.91 CCNK (0.52) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25532521 0.91 CCNK (0.51) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25528330 0.89 CCNK (0.54) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25529433 0.87 CCNK (0.54) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25540418 0.87 CCNK (0.56) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25419507 0.87 CCNK (0.54) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25520628 0.87 CCNK (0.54) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25523019 0.87 CCNK (0.54) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL30396054 0.87 CCNK (0.54) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL30397289 0.87 CCNK (0.49) CCNKCDK12CCNT1CDK9CDK7

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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