SCHEMBL20157265

SCHEMBL20157265

Cc1cc(C)c(SN2CCN(c3ccc(F)cn3)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 14/20 0.40
DRD4 P21917 3/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
PPARG P37231 1/20 0.39
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 1/20 0.38
TNK1 Q13470 1/20 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
SCHEMBL20157058 0.84 DRD4 (0.43) DRD4DRD2DRD3
SCHEMBL20157254 0.82 DRD2 (0.52) DRD4DRD2DRD3PARP1TNK1
SCHEMBL20156964 0.82 MTOR (0.49) RETDRD4DRD2DRD3PPARG
SCHEMBL20141897 0.82 HTT (0.47) RETPPARGPARP1PARP2TNK1
SCHEMBL20139878 0.80 PRKAA2 (0.43) RETPPARG
SCHEMBL20156837 0.80 DRD2 (0.49) DRD4DRD2PARP1TNK1
SCHEMBL20141707 0.79 MTOR (0.47) PPARGPARP1
SCHEMBL20140046 0.76 MTOR (0.47) PPARGPARP1PARP2
SCHEMBL20140070 0.76 MTOR (0.47) PPARGPARP1PARP2
SCHEMBL20140048 0.76 MTOR (0.47) PPARGPARP1PARP2

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