SCHEMBL23587690

SCHEMBL23587690

Cc1ccc(Nc2nccc(N(C)C)n2)cc1S(N)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.62
CYP3A4 P08684 7/20 0.62
CYP2D6 P10635 7/20 0.62
CYP2C9 P11712 7/20 0.62
CYP2C19 P33261 7/20 0.62
LYN P07948 3/20 0.62
SYK P43405 3/20 0.62
ABCB11 O95342 2/20 0.62
TXK P42681 2/20 0.62
PLK4 O00444 2/20 0.62
AURKA O14965 2/20 0.62
JAK2 O60674 2/20 0.62
MAP4K4 O95819 2/20 0.62
LCK P06239 2/20 0.62
FYN P06241 2/20 0.62
CSF1R P07333 2/20 0.62
RET P07949 2/20 0.62
ROS1 P08922 2/20 0.62
KIT P10721 2/20 0.62
FGFR1 P11362 2/20 0.62

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
SCHEMBL23587676 0.86 KDR (0.66) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9277964 0.82 BTK (0.59) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19913009 0.80 KDR (0.68) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4816559 0.80 KDR (0.62) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4976793 0.79 KDR (0.51) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23587679 0.79 BTK (0.58) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24576660 0.78 KDR (0.64) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14419332 0.78 KDR (0.77) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15997518 0.78 KDR (0.77) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL589388 0.78 KDR (0.66) KDRCYP3A4CYP2D6CYP2C9CYP2C19

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-2021133742-A1 STABILIZATION OF MHC COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-01 WO disclosed