SCHEMBL20139813

SCHEMBL20139813

CC(C)(C)OC(=O)NCCc1ccc(C#N)c(N2CCNCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
AKT1 P31749 1/20 0.41
ERG P11308 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
DRD2 P14416 3/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
USP28 Q96RU2 9/20 0.38
USP25 Q9UHP3 7/20 0.38

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
SCHEMBL28256718 0.83 USP28 (0.52) NAMPTAKT1DRD2USP28USP25
SCHEMBL28256724 0.82 USP28 (0.53) NAMPTDRD2USP28USP25
SCHEMBL28258182 0.80 USP28 (0.56) NAMPTDRD2USP28USP25
SCHEMBL22957300 0.80 NAMPT (0.51) NAMPTCA1CA2USP28USP25
SCHEMBL13171671 0.79 NSD2 (0.46) NAMPTCA1CA2
SCHEMBL20157263 0.79 NQO2 (0.44) NAMPTDRD2ACACBACACA
SCHEMBL20141383 0.78 TRPA1 (0.52) NAMPTCA1CA2
SCHEMBL31432911 0.78 CA1 (0.48) CA1CA2
SCHEMBL31432797 0.77 CA1 (0.47) CA1CA2
SCHEMBL20140237 0.76 TMEM97 (0.37)

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed