SCHEMBL25529499

SCHEMBL25529499

Cc1nn(C)cc1-c1nc(N[C@@H]2CCC[C@H](c3nnc4ccccn34)C2)ncc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 15/20 0.56
▸ CDK12 Q9NYV4 15/20 0.56
▸ CCNT1 O60563 13/20 0.56
▸ CDK9 P50750 13/20 0.56
▸ CCNE1 P24864 13/20 0.56
▸ CDK2 P24941 13/20 0.56
▸ CDK7 P50613 10/20 0.56
▸ CCNH P51946 10/20 0.56
▸ MNAT1 P51948 10/20 0.56
▸ CCNB2 O95067 1/20 0.38
▸ CCNE2 O96020 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38

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
SCHEMBL25529569 0.87 CCNK (0.57) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30397643 0.86 CCNK (0.60) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25419507 0.86 CCNK (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30397218 0.84 CCNK (0.55) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25529520 0.84 CCNK (0.53) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25528670 0.83 CCNK (0.57) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25540671 0.83 CCNK (0.55) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30396054 0.81 CCNK (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25528330 0.81 CCNK (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25540418 0.81 CCNK (0.56) CCNKCDK12CCNT1CDK9CCNE1

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
Send feedback