SCHEMBL45055

SCHEMBL45055

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C=C(c1cc(NCOCC[Si](C)(C)C)n3nccc3n1)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.33
CCNE1 P24864 10/20 0.33
CDK2 P24941 10/20 0.33
CCNT1 O60563 5/20 0.32
CDK9 P50750 5/20 0.32
CDK1 P06493 3/20 0.32
CDK4 P11802 3/20 0.32
CCNA2 P20248 3/20 0.32
CCND1 P24385 3/20 0.32
CDK7 P50613 3/20 0.32
CCNH P51946 3/20 0.32
CCNA1 P78396 3/20 0.32
CDK3 Q00526 3/20 0.32
CDK6 Q00534 2/20 0.32
WDR5 P61964 2/20 0.31
JAK1 P23458 3/20 0.31
JAK2 O60674 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
CDK5 Q00535 1/20 0.31

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
SCHEMBL29868 0.85
SCHEMBL2146905 0.85
SCHEMBL2147725 0.81 EIF2AK4 (0.32)
SCHEMBL17787559 0.81 CHEK1 (0.36) CDK2CCNA2CCNA1WDR5JAK1
SCHEMBL2147516 0.76 KCNK3 (0.31)
SCHEMBL14299172 0.76 CHEK1 (0.37) CDK2CCNT1CDK9CCNA2CCNA1
SCHEMBL2147142 0.76
SCHEMBL2724822 0.75 HTR1D (0.31)
SCHEMBL2147714 0.73 WDR5 (0.30) WDR5
SCHEMBL2147721 0.73 WDR5 (0.30) WDR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO disclosed
WO-2012027240-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO disclosed