SCHEMBL17150554

SCHEMBL17150554

Nc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4cn([S+]([O-])c5ccccc5)c5ccccc45)n3)C2)nc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 16/20 0.54
▸ CCNT1 O60563 8/20 0.46
▸ CDK9 P50750 8/20 0.46
▸ CCNH P51946 8/20 0.46
▸ MNAT1 P51948 7/20 0.46
▸ CCNK O75909 4/20 0.46
▸ CDK12 Q9NYV4 4/20 0.46
▸ CDK2 P24941 5/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK13 Q14004 1/20 0.38
▸ JUN P05412 4/20 0.37
▸ MAPK8 P45983 4/20 0.37
▸ MAPK9 P45984 4/20 0.37
▸ MAPK10 P53779 2/20 0.37

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
SCHEMBL19040099 0.86 CDK7 (0.60) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17696259 0.86 CDK7 (0.59) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17151735 0.84 CDK7 (0.55) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20041262 0.81 CDK7 (0.48) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17150715 0.80 CDK7 (0.54) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17150546 0.79 CDK7 (0.84) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19040156 0.79 CDK7 (0.50) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17696392 0.78 CDK7 (0.70) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19040153 0.78 CDK7 (0.49) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL24591540 0.77 CDK7 (0.48) CDK7CCNT1CDK9CCNHMNAT1

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-2015154039-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-10-08 — — WO disclosed
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