SCHEMBL4414871

SCHEMBL4414871

Nc1[nH]c(Nc2ccc(N3CCCCC3)cc2)nc2ncnc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
GAA P10253 3/20 0.45
MAPK1 P28482 3/20 0.45
HTT P42858 2/20 0.45
XBP1 P17861 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CD274 Q9NZQ7 1/20 0.44
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41
KMT2A Q03164 2/20 0.41
NR4A1 P22736 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TBK1 Q9UHD2 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
TTBK1 Q5TCY1 1/20 0.38

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
SCHEMBL4411964 0.91 TTBK1 (0.49) MAPTMAPK1HTTTBK1NPC1
SCHEMBL4423422 0.78 AXL (0.50)
SCHEMBL351023 0.74 ADORA3 (0.45) MAPTGAAMAPK1HTTXBP1
SCHEMBL350535 0.73 SYK (0.41) MAPTGAAMAPK1HTTXBP1
SCHEMBL4422876 0.73 PIK3CG (0.38) HTTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4412660 0.73 ALDH1A1 (0.37) MAPTMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL4413885 0.72 FYN (0.46) MAPTGAASMN1; SMN2KDM4EMEN1
SCHEMBL4428827 0.71 EGFR (0.50) MAPTNPC1RAB9AEGFRSYK
SCHEMBL4414428 0.70 EGFR (0.47) MAPK1HTTSMN1; SMN2RAB9ANPSR1
SCHEMBL4427810 0.70 EGFR (0.45) MAPTHTTMEN1KMT2ATTBK1

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
US-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US claimed