SCHEMBL14977443

SCHEMBL14977443

CNC(=O)c1cnc2sccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
CHEK1 O14757 1/20 0.47
LIMK1 P53667 1/20 0.47
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
HSD17B10 Q99714 10/20 0.45
ALDH1A1 P00352 7/20 0.45
HPGD P15428 6/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL26538480 0.81 KDM4E (0.63) KDM4ECHEK1LIMK1DYRK1ACLK4
SCHEMBL14976996 0.77 CHEK1 (0.51) KDM4ECHEK1LIMK1DYRK1ACLK4
SCHEMBL20223634 0.77 KDM4E (0.50) KDM4ECHEK1LIMK1DYRK1ACLK4
Hydrochloric Acid SCHEMBL1203301 0.72 DYRK1A (0.46) KDM4ECHEK1LIMK1DYRK1ACLK4
SCHEMBL7332574 0.71 CHEK1 (0.49) KDM4ECHEK1LIMK1DYRK1ACLK4
SCHEMBL15358474 0.70 TSHR (0.39) KDM4ECHEK1LIMK1DYRK1ACLK4
SCHEMBL16678534 0.69 PKM (0.48) PKMCLK1
SCHEMBL9913664 0.69 EPHB3 (0.62) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13995840 0.67 KDM4E (1.00) KDM4ECHEK1LIMK1DYRK1ACLK4
SCHEMBL31641304 0.66 CLK1 (0.43) KDM4EALDH1A1RECQLSMN1; SMN2NPC1

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-2013075173-A1 COMPOUNDS FOR THE TREATMENT OF HCV BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-05-30 WO claimed