SCHEMBL28794175

SCHEMBL28794175

c1cc(-c2cnco2)cc(N2CCOCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.55
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RPS6KA3 P51812 1/20 0.48
▸ KMO O15229 1/20 0.48
▸ PLOD2 O00469 2/20 0.46
▸ PLOD3 O60568 2/20 0.46
▸ PLOD1 Q02809 2/20 0.46
▸ AGXT P21549 1/20 0.46
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP1B1 Q16678 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ AR P10275 1/20 0.43
▸ CASR P41180 1/20 0.43
▸ IMPDH2 P12268 3/20 0.43
▸ DHFR P00374 1/20 0.43
▸ CHRM2 P08172 1/20 0.43

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
SCHEMBL1446773 0.77 MAP4K4 (0.49) MAP4K4MEN1KMT2AJAK3
SCHEMBL6919267 0.77 IMPDH2 (0.48) MAP4K4MEN1KMT2ACYP11B1CYP11B2
SCHEMBL17491540 0.76 PIK3CA (0.42) LMNAARIMPDH2CNR2JAK3
SCHEMBL2158739 0.76 KMT2A (0.75) MAP4K4MEN1KMT2ALMNACYP11B1
SCHEMBL6918908 0.76 MAP4K4 (0.47) MAP4K4MEN1KMT2ACYP11B1CYP11B2
SCHEMBL11210288 0.75 LMNA (0.68) KMOAGXTCYP1A1CYP1A2CYP1B1
SCHEMBL22209788 0.74 MAP4K4 (0.48) MAP4K4MEN1KMT2ALMNACYP11B1
SCHEMBL27329825 0.74 LMNA (0.71) MEN1KMT2AKMOPLOD2PLOD3
SCHEMBL14910832 0.73 LRRK2 (0.48) MEN1KMT2ARPS6KA3KMOPLOD2
SCHEMBL11992439 0.73 LRRK2 (0.48) RPS6KA3KMOPLOD2PLOD3PLOD1

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
CN-101910158-A Pyridine and pyrazine derivatives useful in the treatment of cell proliferative disorders ASTRAZENECA AB 2010-12-08 — — CN disclosed
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