SCHEMBL6250892

SCHEMBL6250892

CC(C)(C)n1ncc(C#N)c1N.N#Cc1cnn(-c2ccccc2)c1N

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
XDH P47989 2/20 0.54
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RIPK2 O43353 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 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
SCHEMBL60939 0.87 KMT2A (0.71) KMT2AKDM4EMEN1XDHNPC1
SCHEMBL810891 0.84 KDM4E (0.44) KMT2AKDM4EMEN1XDHNPC1
SCHEMBL31734506 0.77 KMT2A (0.66) KMT2AKDM4EMEN1XDHNPC1
SCHEMBL1456317 0.75 KMT2A (0.71) KMT2AKDM4EMEN1XDHNPC1
SCHEMBL3871978 0.75 KMT2A (0.62) KMT2AKDM4EMEN1XDHNPC1
SCHEMBL19954629 0.74 SMN1; SMN2 (0.47) KMT2AKDM4EMEN1XDHSMN1; SMN2
SCHEMBL6205563 0.73 KMT2A (1.00) KMT2AKDM4EMEN1XDHNPC1
SCHEMBL3876365 0.73 KMT2A (0.73) KMT2AKDM4EMEN1XDHSMN1; SMN2
SCHEMBL6071143 0.73 KMT2A (0.69) KMT2AKDM4EMEN1XDHNPC1
SCHEMBL12795372 0.73 KMT2A (0.74) KMT2AKDM4EMEN1XDHNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499614-A4 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2005-08-24 EP disclosed
EP-1499614-A1 ADENOSINE A3 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2005-01-26 EP disclosed
WO-2003095457-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-11-20 WO disclosed
WO-2000015231-A9 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RES INC (US) 2000-08-17 WO disclosed