SCHEMBL3661465

SCHEMBL3661465

Nc1cccc2[nH]nc(-c3ccccc3)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
GAA P10253 3/20 0.56
MAPK10 P53779 3/20 0.56
HPGD P15428 2/20 0.56
ALPL P05186 1/20 0.56
IDO1 P14902 1/20 0.56
AURKA O14965 2/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAP2K4 P45985 6/20 0.47
MAPK1 P28482 2/20 0.47
MAPKAPK2 P49137 1/20 0.47
MAPK6 Q16659 1/20 0.47
FLT3 P36888 3/20 0.44
MAPK9 P45984 3/20 0.44

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
SCHEMBL5072725 0.85 KDR (0.59) TTKKDM4EALDH1A1GAAMAPK10
SCHEMBL3020582 0.79 TTK (0.56) TTKKDM4EALDH1A1GAAMAPK10
SCHEMBL27968541 0.79 TTK (0.56) TTKKDM4EALDH1A1GAAMAPK10
SCHEMBL1997257 0.79 TTK (0.56) TTKKDM4EALDH1A1GAAMAPK10
SCHEMBL27591370 0.77 KDM4E (0.46) TTKKDM4EALDH1A1GAAMAPK10
SCHEMBL30065304 0.75 PDPK1 (0.66) KDM4EGAAAURKAFLT3MAPK9
SCHEMBL628649 0.75 PDPK1 (0.66) KDM4EGAAAURKAFLT3MAPK9
SCHEMBL5971620 0.75 ALDH1A1 (0.56) TTKKDM4EALDH1A1GAAMAPK10
SCHEMBL8830035 0.75 TTK (0.51) TTKKDM4EALDH1A1GAAMAPK10
SCHEMBL11815497 0.73 KDM4E (0.59) KDM4EALDH1A1HPGDNPC1RAB9A

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-2227464-A1 DERIVATIVES OF 1-[(IMIDAZOLIDIN-2-YL)IMINO)]INDAZOLE Imperial Innovations Limited (GB) 2010-09-15 EP disclosed
WO-2009071906-A1 DERIVATIVES OF 1-[(IMIDAZOLIDIN-2-YL)IMINO)]INDAZOLE IMPERIAL INNOVATIONS LIMITED (GB) 2009-06-11 WO disclosed