SCHEMBL4411964

SCHEMBL4411964

Nc1[nH]c(Nc2ccc(N3CCOCC3)cc2)nc2ncnc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 1/20 0.49
TTBK2 Q6IQ55 1/20 0.49
TBK1 Q9UHD2 3/20 0.46
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
AHR P35869 1/20 0.42
HTT P42858 1/20 0.42
SYK P43405 2/20 0.42
PLK4 O00444 4/20 0.42
KIT P10721 2/20 0.42
FLT3 P36888 2/20 0.42
KDM1A O60341 1/20 0.42
JAK2 O60674 5/20 0.41
MAPK10 P53779 2/20 0.41
EGFR P00533 2/20 0.40
IGF1R P08069 1/20 0.40

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
SCHEMBL4414871 0.91 MAPT (0.45) TTBK1TTBK2TBK1MAPTMAPK1
SCHEMBL351077 0.75 SYK (0.42) TTBK1TTBK2TBK1SYKFLT3
SCHEMBL1306157 0.74 INSR (0.51) KDRINSRAURKBIRAK4
SCHEMBL4416345 0.74 SRC (0.48) TP53SYKEGFRKDRAURKA
SCHEMBL4413885 0.73 FYN (0.46) MAPTNPC1RAB9AKITFLT3
SCHEMBL4724183 0.72 MAPT (0.49) TTBK1TTBK2MAPTMAPK1TP53
SCHEMBL14547699 0.72 XDH (0.54) TTBK1TTBK2MAPTMAPK1TP53
SCHEMBL4422876 0.71 PIK3CG (0.38) NPC1RAB9AHTTEGFRCDK1
SCHEMBL4412660 0.71 ALDH1A1 (0.37) MAPTMAPK1TP53NPC1POLB
SCHEMBL16423097 0.70 MAPK10 (0.49) TTBK1TTBK2MAPTMAPK1TP53

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