SCHEMBL6238340

SCHEMBL6238340

CC(=O)Nc1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.56
DYRK1A Q13627 2/20 0.44
P2RY14 Q15391 1/20 0.42
TOP2A P11388 1/20 0.42
GSTO1 P78417 1/20 0.41
SNCA P37840 2/20 0.40
KIF11 P52732 2/20 0.40
TRPV1 Q8NER1 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL2380377 0.84 ADORA3 (0.54) ADORA3DYRK1AKDM4EMEN1ALDH1A1
SCHEMBL1856373 0.83 ADORA3 (0.59) ADORA3DYRK1A
SCHEMBL27564437 0.82 KMT2A (0.44) ADORA3KDM4EMEN1ALDH1A1MAPT
SCHEMBL474679 0.82 KIF11 (0.49) ADORA3KIF11
SCHEMBL10117774 0.81 ALDH1A1 (0.42) ADORA3DYRK1AKDM4EMEN1ALDH1A1
SCHEMBL8012523 0.81 XDH (0.44) ADORA3KDM4EMEN1ALDH1A1MAPT
SCHEMBL4519009 0.81 ADORA3 (0.53) ADORA3KDM4EMEN1ALDH1A1MAPT
SCHEMBL1201878 0.81 ADORA3 (0.55) ADORA3KDM4EMEN1ALDH1A1MAPT
SCHEMBL8012036 0.78 LMNA (0.41) ADORA3KDM4EMEN1ALDH1A1MAPT
SCHEMBL6152117 0.78 EGLN2 (0.45) ADORA3DYRK1AKDM4EMEN1ALDH1A1

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