SCHEMBL30397218

SCHEMBL30397218

Cc1nc(C)c(-c2nc(N[C@@H]3CCC[C@H](c4nnc5ccccn45)C3)ncc2C(F)(F)F)s1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.55
▸ CDK12 Q9NYV4 17/20 0.55
▸ CCNT1 O60563 15/20 0.55
▸ CDK9 P50750 15/20 0.55
▸ CDK2 P24941 13/20 0.55
▸ CCNE1 P24864 12/20 0.55
▸ CDK7 P50613 10/20 0.55
▸ CCNH P51946 10/20 0.55
▸ MNAT1 P51948 9/20 0.55
▸ ULK1 O75385 1/20 0.37
▸ CCNA2 P20248 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
SCHEMBL25419507 0.87 CCNK (0.54) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL30397643 0.85 CCNK (0.60) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL25528670 0.85 CCNK (0.57) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL25540671 0.85 CCNK (0.55) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL25529499 0.84 CCNK (0.56) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL30396054 0.84 CCNK (0.54) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL25520628 0.84 CCNK (0.54) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL25529520 0.83 CCNK (0.53) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL25529569 0.83 CCNK (0.57) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL25528330 0.82 CCNK (0.54) CCNKCDK12CCNT1CDK9CDK2

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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