SCHEMBL3263093

SCHEMBL3263093

Brc1ccc2ncn([C@H]3CCCCO3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
FLT3 P36888 4/20 0.42
YTHDC1 Q96MU7 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
APEX1 P27695 1/20 0.39
PI4KA P42356 1/20 0.39
BLM P54132 1/20 0.39
ADCY1 Q08828 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL2144134 1.00 CYP2C19 (0.44) CYP2C19FLT3YTHDC1ALDH1A1KMT2A
SCHEMBL2144446 0.90 CYP2C19 (0.45) CYP2C19FLT3YTHDC1ALDH1A1KMT2A
SCHEMBL30124718 0.84 CYP1A2 (0.46) CYP2C19YTHDC1ALDH1A1KMT2AMEN1
SCHEMBL1844354 0.81 CYP1A2 (0.41) CYP2C19FLT3YTHDC1ALDH1A1KMT2A
SCHEMBL18307733 0.81 CYP2C19 (0.42) CYP2C19FLT3YTHDC1ALDH1A1KMT2A
SCHEMBL25431553 0.81 CYP2C19 (0.39) CYP2C19FLT3YTHDC1ALDH1A1KMT2A
SCHEMBL18309163 0.81 CYP2C19 (0.42) CYP2C19FLT3YTHDC1ALDH1A1KMT2A
SCHEMBL1845611 0.81 CYP1A2 (0.41) CYP2C19FLT3YTHDC1ALDH1A1KMT2A
SCHEMBL2489275 0.80 NPSR1 (0.48) CYP2C19YTHDC1ALDH1A1KMT2AMEN1
SCHEMBL14722928 0.80 CYP2C19 (0.43) CYP2C19FLT3YTHDC1ALDH1A1KMT2A

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-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed