SCHEMBL13004738

SCHEMBL13004738

CNc1ccc(-c2cnc3c(c2)CCN3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.58
PIK3C3 Q8NEB9 1/20 0.53
PIK3CD O00329 2/20 0.46
FEN1 P39748 4/20 0.45
ALOX5AP P20292 3/20 0.45
ABL1 P00519 2/20 0.45
GRM5 P41594 1/20 0.43
NNMT P40261 2/20 0.42
ADORA2A P29274 1/20 0.38
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
NTRK1 P04629 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL8388712 0.80 ASIC3 (0.62) ASIC3PIK3C3PIK3CDFEN1ALOX5AP
SCHEMBL10293323 0.80 ASIC3 (0.62) ASIC3PIK3C3PIK3CDFEN1ALOX5AP
SCHEMBL8385558 0.80 ASIC3 (0.61) ASIC3PIK3C3PIK3CDFEN1ALOX5AP
SCHEMBL13533930 0.79 ASIC3 (0.58) ASIC3PIK3C3PIK3CDFEN1ALOX5AP
SCHEMBL13138515 0.77 ASIC3 (0.56) ASIC3PIK3C3PIK3CDFEN1ALOX5AP
SCHEMBL12961046 0.75 ASIC3 (0.57) ASIC3PIK3C3PIK3CDFEN1ALOX5AP
SCHEMBL12843909 0.75 ASIC3 (0.53) ASIC3PIK3C3PIK3CDFEN1ALOX5AP
SCHEMBL8388946 0.74 ASIC3 (0.56) ASIC3PIK3C3PIK3CDFEN1ALOX5AP
SCHEMBL10293369 0.74 NNMT (0.69) ASIC3PIK3C3PIK3CDABL1NNMT
SCHEMBL8386135 0.74 ASIC3 (0.52) ASIC3PIK3C3PIK3CDFEN1ALOX5AP

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
EP-1633750-B1 SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAINDOLINES EISAI R&D MAN CO LTD (JP) 2010-12-01 EP disclosed