SCHEMBL5214947

SCHEMBL5214947

Nc1nccc(Cc2cccc(-c3cccnc3)c2)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.56
▸ EPHX2 P34913 1/20 0.52
▸ PRMT6 Q96LA8 1/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ PSIP1 O75475 1/20 0.49
▸ AXL P30530 1/20 0.49
▸ MKNK1 Q9BUB5 1/20 0.49
▸ MKNK2 Q9HBH9 1/20 0.49
▸ CYP2A6 P11509 2/20 0.44
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ DHFR P00374 2/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ FYN P06241 1/20 0.39

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
SCHEMBL5212680 0.89 BACE1 (0.44) BACE1EPHX2PRMT6CYP2A6DHFR
Ammonia Solution, Strong SCHEMBL4936578 0.85 BACE1 (0.61) BACE1EPHX2PRMT6MEN1PSIP1
SCHEMBL9694096 0.84 MPO (0.48) CYP2A6CYP11B1CYP11B2ALDH1A1CYP1A2
SCHEMBL5213984 0.79 BACE1 (0.63) BACE1DHFR
SCHEMBL5244112 0.79 CYP11B1 (0.52) BACE1CYP11B1CYP11B2ALDH1A1CYP19A1
SCHEMBL5214222 0.77 DHFR (0.46) BACE1MEN1DHFRALDH1A1CYP1A2
SCHEMBL7499087 0.74 LTA4H (0.43) BACE1CYP3A4MPO
SCHEMBL1130071 0.73 EPHX2 (0.63) BACE1EPHX2PRMT6MEN1PSIP1
SCHEMBL3780918 0.73 CYP2A6 (0.73) BACE1EPHX2PRMT6MEN1PSIP1
SCHEMBL29809603 0.73 CYP2A6 (0.73) BACE1EPHX2PRMT6MEN1PSIP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 — — EP claimed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 — — WO claimed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 — — EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 — — WO disclosed
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