SCHEMBL4228405

SCHEMBL4228405

CCOC(=O)c1nc(Nc2ccccc2O)nc(Nc2ccccc2OC)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SIRT5 Q9NXA8 1/20 0.44
NPC1 O15118 3/20 0.43
SHMT2 P34897 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
RAB9A P51151 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
APOBEC3G Q9HC16 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
SCHEMBL1749913 0.86 ALDH1A1 (0.44) HSD17B10MAPTSMN1; SMN2ALDH1A1USP2
SCHEMBL4363788 0.83 KMT2A (0.50) HSD17B10MAPTSMN1; SMN2ALDH1A1USP2
SCHEMBL27631425 0.83 MEN1 (0.46) MAPTSMN1; SMN2ALDH1A1USP2ALOX15
SCHEMBL4221102 0.82 CDC25B (0.43) HSD17B10MAPTSMN1; SMN2ALDH1A1USP2
SCHEMBL1750115 0.82 ALDH1A1 (0.41) HSD17B10MAPTSMN1; SMN2ALDH1A1USP2
SCHEMBL1749518 0.81 TYRO3 (0.47) HSD17B10MAPTSMN1; SMN2ALDH1A1USP2
SCHEMBL1749519 0.81 TYRO3 (0.47) HSD17B10MAPTSMN1; SMN2ALDH1A1USP2
SCHEMBL4229794 0.81 TYRO3 (0.47) HSD17B10MAPTSMN1; SMN2ALDH1A1USP2
SCHEMBL4230926 0.80 CSNK1D (0.46) HSD17B10MAPTSMN1; SMN2ALDH1A1USP2
SCHEMBL1749409 0.77 ALDH1A1 (0.41) HSD17B10MAPTSMN1; SMN2ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed