SCHEMBL20008281

SCHEMBL20008281

Cc1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)cnc2C)cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.52
GRIN1 Q05586 8/20 0.52
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP1 P09874 1/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
DYRK1A Q13627 1/20 0.42
DYRK2 Q92630 1/20 0.42
PDK2 Q15119 1/20 0.42
VRK1 Q99986 1/20 0.42
MTOR P42345 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL8274248 0.87 GRIN1 (0.56) GRIN2BGRIN1ALDH1A1L3MBTL1PARP1
SCHEMBL20171236 0.80 ALDH1A1 (0.50) GRIN2BGRIN1ALDH1A1L3MBTL1PARP1
SCHEMBL20049822 0.80 ALDH1A1 (0.51) GRIN2BGRIN1ALDH1A1L3MBTL1PARP1
SCHEMBL20008381 0.76 RAF1 (0.45) GRIN2BGRIN1ATMKDM4E
SCHEMBL15730622 0.74 PDE2A (0.49) GRIN2BGRIN1ALDH1A1BRD4
SCHEMBL29134978 0.73 GRIN1 (0.55) GRIN2BGRIN1ALDH1A1L3MBTL1PARP1
SCHEMBL15394274 0.73 KIF11 (0.54) GRIN2BGRIN1ALDH1A1GAAATM
SCHEMBL17132076 0.73 RXRA (0.45) GRIN2BGRIN1PDK2MTOR
SCHEMBL12137731 0.73 ADORA2A (0.49) GRIN2BGRIN1ALDH1A1L3MBTL1PARP1
SCHEMBL28307674 0.72 SCN2A (0.48) GRIN2BGRIN1ALDH1A1L3MBTL1PARP1

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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed