SCHEMBL4440692

SCHEMBL4440692

O=C(O)c1ccncc1OCc1ncccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 16/20 0.45
KDM6B O15054 7/20 0.45
KDM4D Q6B0I6 5/20 0.45
KDM4E B2RXH2 3/20 0.45
KDM4A O75164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.41
KDM5A P29375 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
EGLN3 Q9H6Z9 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
SCHEMBL1025156 0.84 SGMS2 (0.53) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL3605826 0.81 TP53 (0.45) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL29102375 0.80 KDM4C (0.45) KDM4CKDM6BKDM4DKDM4EKDM4A
Nitrous Acid SCHEMBL29102319 0.80 KDM4E (0.49) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL21056814 0.79 KDM4C (0.50) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL9165102 0.78 KDM4C (0.47) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL1853295 0.75 KDM4C (0.52) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL1555479 0.75 L3MBTL1 (0.48) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL15288914 0.75 GAA (0.52) KDM4CKDM6BKDM4DKDM4EKDM4A
Hydrochloric Acid SCHEMBL1554919 0.74 L3MBTL1 (0.47) KDM4CKDM6BKDM4DKDM4EKDM4A

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-2057168-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed