SCHEMBL7886641

SCHEMBL7886641

Pn1nc(Br)c2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
MAPT P10636 2/20 0.35
AXL P30530 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 3/20 0.33
HSP90AA1 P07900 3/20 0.33
MEN1 O00255 2/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
LDHA P00338 1/20 0.33
FEN1 P39748 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
HSP90AB1 P08238 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL7890459 0.77 ELANE (0.49) KDM4EMAPTL3MBTL1KMT2AHSP90AA1
SCHEMBL7886473 0.77 FEN1 (0.37) KDM4EMAPTL3MBTL1KMT2AHSP90AA1
SCHEMBL13658230 0.77 KDM5A (0.41) KDM4EMAPTAXLL3MBTL1HSP90AA1
SCHEMBL30509506 0.73 L3MBTL1 (0.45) L3MBTL1FEN1ELANE
SCHEMBL20689382 0.73 RET (0.38) L3MBTL1HSP90AA1FEN1NPC1
SCHEMBL29248280 0.72 ELANE (0.46) KDM4EL3MBTL1KMT2AHSP90AA1MEN1
SCHEMBL30204143 0.69 L3MBTL1 (0.36) KDM4EAXLL3MBTL1ALDH1A1LDHA
SCHEMBL9940661 0.69 L3MBTL1 (0.36) KDM4EAXLL3MBTL1ALDH1A1LDHA
SCHEMBL12146948 0.69 ELANE (0.43) KDM4EMAPTAXLL3MBTL1KMT2A
SCHEMBL20689380 0.66 RET (0.44) ELANE

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-2010111527-A1 PYRAZOLO [ 3, 4 -B] PYRIDINES AS KINASE INHIBITORS AND THEIR MEDICAL USE PLEXXIKON, INC. (US) 2010-09-30 WO disclosed