SCHEMBL25438540

SCHEMBL25438540

O=C(O)N1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(-n5ccnc5)ccc34)n2)C1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.73
▸ CDK12 Q9NYV4 19/20 0.73
▸ CCNE1 P24864 13/20 0.73
▸ CDK2 P24941 13/20 0.73
▸ CCNT1 O60563 11/20 0.73
▸ CDK9 P50750 11/20 0.73
▸ CDK7 P50613 9/20 0.57
▸ CCNH P51946 9/20 0.57
▸ MNAT1 P51948 9/20 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
SCHEMBL25597344 0.91 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204109 0.91 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204511 0.89 CCNK (0.75) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25225790 0.85 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25267992 0.85 CCNK (0.78) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839544 0.85 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL26967518 0.82 CCNK (0.61) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL26967490 0.82 CCNK (0.72) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25220110 0.82 CCNK (0.72) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL28817263 0.82 CCNK (0.72) CCNKCDK12CCNE1CDK2CCNT1

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
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
Send feedback