SCHEMBL25529569

SCHEMBL25529569

Cc1c(-c2nc(N[C@@H]3CCC[C@H](c4nnc5ccccn45)C3)ncc2C(F)(F)F)cnn1C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.57
▸ CDK12 Q9NYV4 18/20 0.57
▸ CCNT1 O60563 14/20 0.57
▸ CDK9 P50750 14/20 0.57
▸ CCNE1 P24864 13/20 0.57
▸ CDK2 P24941 13/20 0.57
▸ CDK7 P50613 11/20 0.57
▸ CCNH P51946 11/20 0.57
▸ MNAT1 P51948 10/20 0.57

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
SCHEMBL25529520 0.89 CCNK (0.53) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25529499 0.87 CCNK (0.56) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30397643 0.85 CCNK (0.60) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25419507 0.85 CCNK (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25528670 0.84 CCNK (0.57) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25540671 0.84 CCNK (0.55) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30397218 0.83 CCNK (0.55) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30396054 0.82 CCNK (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25528330 0.82 CCNK (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25540418 0.82 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
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