SCHEMBL30397289

SCHEMBL30397289

OCC(O)c1nc(N[C@@H]2CCC[C@H](c3nnc4ccccn34)C2)ncc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 7/20 0.49
▸ CDK12 Q9NYV4 7/20 0.49
▸ CCNT1 O60563 6/20 0.49
▸ CDK9 P50750 6/20 0.49
▸ CDK7 P50613 5/20 0.49
▸ CCNH P51946 5/20 0.49
▸ MNAT1 P51948 5/20 0.49
▸ CCNE1 P24864 5/20 0.49
▸ CDK2 P24941 5/20 0.49
▸ ULK1 O75385 1/20 0.38
▸ MAPK3 P27361 9/20 0.37
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL25528791 0.91 CDK7 (0.51) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25528804 0.87 CCNK (0.52) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL30397416 0.86 CCNK (0.48) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25528330 0.86 CCNK (0.54) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25420227 0.85 CCNK (0.47) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL30398138 0.85 CCNK (0.47) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25518487 0.85 CCNK (0.47) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25420224 0.85 CCNK (0.47) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25528708 0.84 CCNK (0.53) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL30396054 0.84 CCNK (0.54) 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 1 patent. 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
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