SCHEMBL13005277

SCHEMBL13005277

C=C/C=C\c1cnc2c(c1)CCN2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.44
GRM5 P41594 1/20 0.42
ASIC3 Q9UHC3 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.35
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
PIK3CD O00329 1/20 0.32

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
SCHEMBL29951191 0.77 NNMT (0.53) NNMTGRM5ASIC3PIK3C3ALOX5AP
SCHEMBL6369071 0.74 NNMT (0.51) NNMTGRM5ASIC3PIK3C3ALOX5AP
SCHEMBL17173410 0.73 NNMT (0.49) NNMTPIK3C3
SCHEMBL13533931 0.73 AHR (0.41) NNMTGRM5ASIC3ALOX5APFEN1
SCHEMBL14026564 0.72 GRM5 (0.40) NNMTGRM5ASIC3PIK3C3ALOX5AP
SCHEMBL17173454 0.72 KMT2A (0.49) NNMTGRM5PIK3C3
SCHEMBL24765213 0.71 ADRA2A (0.52) NNMTGRM5ASIC3PIK3C3ALOX5AP
SCHEMBL620335 0.71 CHRNB2 (0.48) NNMTGRM5ASIC3PIK3C3ALOX5AP
SCHEMBL14158455 0.70 NNMT (0.49) NNMTGRM5ASIC3PIK3C3ALOX5AP
SCHEMBL6425767 0.68 NNMT (0.55) NNMTGRM5ASIC3PIK3C3ALOX5AP

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