SCHEMBL21184620

SCHEMBL21184620

Cc1noc(C)c1-c1ccc2c(-c3nc(N[C@H]4CCC[C@@H]4N)ncc3C(F)(F)F)c[nH]c2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 16/20 0.72
▸ CDK12 Q9NYV4 16/20 0.72
▸ CDK9 P50750 16/20 0.72
▸ CDK2 P24941 15/20 0.72
▸ CCNT1 O60563 15/20 0.72
▸ CCNE1 P24864 14/20 0.72
▸ CDK7 P50613 13/20 0.72
▸ CCNH P51946 12/20 0.72
▸ MNAT1 P51948 8/20 0.43
▸ CDC7 O00311 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ DCLK1 O15075 1/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41

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
SCHEMBL21184600 0.95 CCNK (0.72) CCNKCDK12CDK9CDK2CCNT1
SCHEMBL21184573 0.91 CCNK (0.72) CCNKCDK12CDK9CDK2CCNT1
SCHEMBL24176489 0.91 CCNK (0.74) CCNKCDK12CDK9CDK2CCNT1
SCHEMBL21184362 0.90 CCNK (0.71) CCNKCDK12CDK9CDK2CCNT1
SCHEMBL21184615 0.90 CCNK (0.85) CCNKCDK12CDK9CDK2CCNT1
SCHEMBL21184360 0.89 CCNK (0.69) CCNKCDK12CDK9CDK2CCNT1
SCHEMBL21184364 0.89 CCNK (0.69) CCNKCDK12CDK9CDK2CCNT1
SCHEMBL21184429 0.89 CCNK (0.69) CCNKCDK12CDK9CDK2CCNT1
SCHEMBL30771949 0.89 CCNK (0.69) CCNKCDK12CDK9CDK2CCNT1
SCHEMBL30771916 0.89 CCNK (0.69) CCNKCDK12CDK9CDK2CCNT1

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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