SCHEMBL7943191

SCHEMBL7943191

Brc1cnc2[nH]nc(-c3cn[nH]c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.42
NTRK1 P04629 6/20 0.41
DYRK1A Q13627 6/20 0.40
MAP4K4 O95819 4/20 0.40
CLK2 P49760 4/20 0.40
MAP4K2 Q12851 4/20 0.40
AURKB Q96GD4 4/20 0.40
CLK4 Q9HAZ1 4/20 0.40
AURKA O14965 3/20 0.40
JAK2 O60674 3/20 0.40
FGFR1 P11362 3/20 0.40
FLT1 P17948 3/20 0.40
KDR P35968 3/20 0.40
CDK5 Q00535 3/20 0.40
PRKD3 O94806 3/20 0.40
IGF1R P08069 2/20 0.40
JAK3 P52333 2/20 0.40
LIMK1 P53667 2/20 0.40
NTRK2 Q16620 2/20 0.40
FER P16591 2/20 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
SCHEMBL29930538 0.79 DYRK1B (0.60) PIM1NTRK1DYRK1AMAP4K4CLK2
SCHEMBL5061384 0.78 DYRK1A (0.57) PIM1DYRK1AMAP4K4CLK2MAP4K2
SCHEMBL28553148 0.78 DYRK1B (0.56) PIM1NTRK1DYRK1AMAP4K4CLK2
SCHEMBL28559332 0.76 DYRK1A (0.44) PIM1DYRK1AMAP4K4CLK2MAP4K2
SCHEMBL8320389 0.75 DYRK1A (0.66) DYRK1AMAP4K4CLK2MAP4K2AURKB
SCHEMBL29930770 0.75 DYRK1B (0.58) DYRK1AMAP4K4CLK2MAP4K2AURKB
SCHEMBL28562998 0.75 DYRK1B (0.61) DYRK1ASYKDYRK1BKDM4EALDH1A1
SCHEMBL28553364 0.74 DYRK1B (0.39) PIM1NTRK1DYRK1AMAP4K4CLK2
SCHEMBL1592867 0.73 DYRK1B (0.44) PIM1NTRK1DYRK1AMAP4K4CLK2
SCHEMBL29930372 0.73 DYRK1B (0.60) DYRK1AMAP4K4CLK2MAP4K2AURKB

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-2010015803-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R & D MANAGEMENT CO. LTD (JP) 2010-02-11 WO disclosed