SCHEMBL17151937

SCHEMBL17151937

CCc1cnc(N[C@@H]2CCC[C@](C)(N(C)Cc3ccc([N+](=O)[O-])cn3)C2)nc1-c1c2ccccc2nn1COCC[Si](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.32
▸ CCNK O75909 2/20 0.32
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CDK7 P50613 2/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ CCNH P51946 2/20 0.32
▸ MNAT1 P51948 2/20 0.32
▸ CDK12 Q9NYV4 2/20 0.32

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
SCHEMBL17150744 0.89 CCNT1 (0.33) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL17150641 0.82 CDK2 (0.38) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL17141323 0.80 CCNT1 (0.34) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL20412364 0.76 CDK2 (0.34) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL17150724 0.76 CDK7 (0.50) CCNT1CCNKCDK2CDK7CDK9
SCHEMBL17150740 0.71 CDK2 (0.39) CCNT1CCNKCDK2CDK7CDK9
SCHEMBL17150639 0.69 CDK2 (0.35) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL17150455 0.67 CDK7 (0.56) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL20416030 0.66 CCNA2 (0.33) CDK2
SCHEMBL20416033 0.65 — —

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-2015154038-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-10-08 — — WO disclosed
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