SCHEMBL5364034

SCHEMBL5364034

Cc1nn(C)c2c(-c3ccc(OC(F)(F)F)cc3)ncnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.45
ABL1 P00519 2/20 0.44
BCR P11274 2/20 0.44
SLC34A1 Q06495 5/20 0.44
PDE2A O00408 1/20 0.41
CACNA2D1 P54289 2/20 0.41
SCN5A Q14524 2/20 0.40
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
CACNA2D2 Q9NY47 1/20 0.38
KDM5A P29375 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
TNK2 Q07912 1/20 0.37
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5378734 0.77 TDP2 (0.48) TDP2SLC34A1CACNA2D1SCN5AMAPT
SCHEMBL20074707 0.69 SLC34A1 (0.47) TDP2SLC34A1PDE2ASCN5AMAPT
SCHEMBL17290717 0.69 SLC34A1 (0.47) TDP2SLC34A1CACNA2D1SCN5AMAPT
SCHEMBL20074733 0.69 SLC34A1 (0.47) TDP2SLC34A1CACNA2D1SCN5AMAPT
SCHEMBL130643 0.68 NUDT14 (0.68) ABL1KDM4EALDH1A1
SCHEMBL25286772 0.68 TEAD1 (0.43) TDP2SLC34A1PDE2ACACNA2D1SCN5A
SCHEMBL14960652 0.67 KDM4E (0.46) TDP2ABL1BCRCACNA2D1SCN5A
SCHEMBL27715058 0.67 CHRNA7 (0.47) TDP2ABL1BCR
SCHEMBL24121907 0.67 ADORA2A (0.34)
SCHEMBL21434020 0.66 CACNA2D1 (0.47) SLC34A1CACNA2D1SCN5AMAPTKDM4E

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
EP-1814885-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-08-08 EP disclosed
WO-2006073610-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed