SCHEMBL13627414

SCHEMBL13627414

CC(=O)c1c[nH]c2ncncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.46
MAP3K7 O43318 1/20 0.43
TAB1 Q15750 1/20 0.43
NTRK1 P04629 3/20 0.42
PBRM1 Q86U86 1/20 0.42
PIK3CA P42336 2/20 0.42
MAP2K1 Q02750 2/20 0.41
PIM1 P11309 2/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL14406911 0.86 NTRK1 (0.44) NTRK1MAP2K1RPS6KA5AXL
SCHEMBL27934700 0.86 NTRK1 (0.49) MAP3K7TAB1NTRK1MAP2K1RPS6KA5
SCHEMBL15173466 0.84 ALDH1A1 (0.43) NTRK1MAP2K1RPS6KA5AXL
SCHEMBL29589055 0.84 ALDH1A1 (0.43) NTRK1MAP2K1RPS6KA5AXL
SCHEMBL21713015 0.83 MAP2K1 (0.59) MAP2K1AXL
Hydrochloric Acid SCHEMBL30131065 0.83 NTRK1 (0.42) NTRK1MAP2K1RPS6KA5AXL
SCHEMBL16797928 0.82 MAP4K1 (0.45) NTRK1MAP2K1ABL1JAK3CLK4
SCHEMBL30996123 0.82 NTRK1 (0.40) MAP3K7TAB1NTRK1MAP2K1JAK2
SCHEMBL31070093 0.82 MAP2K1 (0.43) MAP3K7TAB1NTRK1MAP2K1RPS6KA5
SCHEMBL28202369 0.81 NTRK1 (0.44) MAP3K7TAB1NTRK1MAP2K1RPS6KA5

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-2009143024-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 WO disclosed