SCHEMBL21184588

SCHEMBL21184588

FSn1cc(-c2nc(NC3CCCC3)ncc2C(F)(F)F)c2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 13/20 0.46
▸ CDK12 Q9NYV4 13/20 0.46
▸ CCNT1 O60563 12/20 0.46
▸ CDK9 P50750 12/20 0.46
▸ CDK7 P50613 10/20 0.46
▸ CCNH P51946 10/20 0.46
▸ MNAT1 P51948 9/20 0.46
▸ CCNE1 P24864 10/20 0.43
▸ CDK2 P24941 10/20 0.43
▸ ULK1 O75385 1/20 0.43

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
SCHEMBL21184555 0.83 CCNK (0.59) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL21184308 0.82 CDK7 (0.55) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL21184300 0.82 CCNK (0.59) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL21184407 0.80 RORC (0.34) —
SCHEMBL21184311 0.79 CDK7 (0.50) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL21184589 0.76 CCNK (0.64) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL21178751 0.73 CDK7 (0.46) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL30440225 0.71 CCNK (0.59) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25529565 0.68 CCNE1 (0.58) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL24087425 0.68 CCNK (0.56) CCNKCDK12CCNT1CDK9CDK7

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-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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