SCHEMBL21184587

SCHEMBL21184587

FC(F)(F)c1cnc(Cl)nc1-c1c[nH]c2cc(I)ccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.42
▸ CDK12 Q9NYV4 17/20 0.42
▸ CDK7 P50613 12/20 0.42
▸ CCNH P51946 12/20 0.42
▸ CCNT1 O60563 10/20 0.42
▸ CCNE1 P24864 10/20 0.42
▸ CDK2 P24941 10/20 0.42
▸ CDK9 P50750 10/20 0.42
▸ MNAT1 P51948 10/20 0.42
▸ CLK1 P49759 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 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
SCHEMBL30957590 0.87 TDO2 (0.47) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL24900493 0.87 TDO2 (0.47) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL21629046 0.86 CCNK (0.44) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL30260854 0.86 CLK1 (0.50) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL21178668 0.86 CLK1 (0.50) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL30554768 0.86 CCNK (0.44) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL25597321 0.86 CLK1 (0.52) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL21178905 0.83 CCNK (0.60) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL17683297 0.83 GSK3B (0.47) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL30261038 0.83 GSK3B (0.47) CCNKCDK12CDK7CCNHCCNT1

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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