SCHEMBL6239029

SCHEMBL6239029

CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.64
PIK3CD O00329 1/20 0.61
PIK3CA P42336 1/20 0.61
PIK3CG P48736 1/20 0.61
BRAF P15056 3/20 0.52
KDR P35968 3/20 0.52
DHODH Q02127 1/20 0.52
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.49
KDM1A O60341 2/20 0.48
MAOB P27338 2/20 0.48
KMO O15229 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAOA P21397 1/20 0.48
NPC1 O15118 1/20 0.48
HPGDS O60760 1/20 0.47
IDO1 P14902 1/20 0.47
NTRK1 P04629 1/20 0.46
FYN P06241 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL6236761 0.85 DHODH (0.52) PIK3CDPIK3CAPIK3CGDHODHKDM1A
SCHEMBL27702482 0.85 KMO (0.53) PIK3CDPIK3CAPIK3CGDHODHCNR2
SCHEMBL6237221 0.85 DHODH (0.52) PIK3CDPIK3CAPIK3CGDHODHKDM1A
SCHEMBL6234378 0.83 HPGDS (0.68) PIK3CDPIK3CAPIK3CGDHODHKDM1A
SCHEMBL5934471 0.83 MEN1 (0.57) KDRKDM4EPOLBMEN1KMT2A
SCHEMBL6233524 0.82 ITGB3 (0.53) PIK3CDPIK3CAPIK3CGDHODHKDM1A
SCHEMBL5934519 0.82 TRPV1 (0.56) BRAFKDRDHODH
SCHEMBL23888875 0.81 KIF11 (0.57) PIK3CDPIK3CAPIK3CG
SCHEMBL5934763 0.80 TRPV1 (0.54) BRAFKDRDHODH
SCHEMBL6235301 0.80 DHODH (0.58) PIK3CDPIK3CAPIK3CGBRAFKDR

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-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed