SCHEMBL25529565

SCHEMBL25529565

Cc1c(-c2nc(NC3CCCCC3)ncc2C(F)(F)F)cnn1C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 13/20 0.58
▸ CDK2 P24941 13/20 0.58
▸ CCNK O75909 11/20 0.58
▸ CDK12 Q9NYV4 11/20 0.58
▸ CCNT1 O60563 8/20 0.58
▸ CDK9 P50750 8/20 0.58
▸ ULK1 O75385 1/20 0.51
▸ CDK1 P06493 2/20 0.49
▸ CDK4 P11802 2/20 0.49
▸ CCNB1 P14635 2/20 0.49
▸ CCND1 P24385 2/20 0.49
▸ CCND3 P30281 2/20 0.49
▸ CDK6 Q00534 2/20 0.49
▸ CDK7 P50613 7/20 0.47
▸ CCNH P51946 7/20 0.47
▸ MNAT1 P51948 7/20 0.47

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 0.78 CCNK (0.57) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL21184419 0.75 ULK1 (0.67) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL30204111 0.75 CCNK (1.00) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL24839776 0.75 CCNK (1.00) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL20421857 0.74 CDK9 (0.77) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL20445253 0.74 CDK9 (0.77) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL5567563 0.72 ULK1 (0.65) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL20430303 0.72 ULK1 (0.65) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL20430301 0.72 ULK1 (0.65) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL23838372 0.70 CDK7 (0.64) CDK2CCNKCDK12CCNT1CDK9

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
Send feedback