SCHEMBL30323406

SCHEMBL30323406

COc1ccc(CN2CCC(C(=O)NNC(=O)c3ncccc3Nc3ccc(C(F)(F)F)cc3)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 6/20 0.43
▸ PRKAG1 P54619 6/20 0.43
▸ PRKAA2 P54646 6/20 0.43
▸ PRKAA1 Q13131 6/20 0.43
▸ PRKAG3 Q9UGI9 6/20 0.43
▸ PRKAG2 Q9UGJ0 6/20 0.43
▸ PRKAB1 Q9Y478 6/20 0.43
▸ NR3C1 P04150 2/20 0.40
▸ MET P08581 1/20 0.40
▸ SLC6A5 Q9Y345 3/20 0.40
▸ FPR1 P21462 3/20 0.40
▸ FPR2 P25090 2/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ MLNR O43193 1/20 0.38
▸ P2RY1 P47900 1/20 0.38
▸ GSK3B P49841 1/20 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
SCHEMBL30323348 0.88 PRKAB2 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30323372 0.82 SMN1; SMN2 (0.42) METFPR1FPR2CYP3A4MLNR
SCHEMBL30323373 0.80 PRKAB2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30323471 0.76 GSK3B (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30323410 0.72 ABCG2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30323350 0.69 MMP1 (0.50) CYP3A4
SCHEMBL30323493 0.68 EGLN1 (0.49) —
SCHEMBL30323356 0.67 TLR7 (0.43) —
SCHEMBL30323324 0.67 TLR7 (0.43) —
SCHEMBL30323679 0.67 GAA (0.49) —

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-2023049199-A1 AZOLE COMPOUNDS ZENO MANAGEMENT, INC. (US) 2023-03-30 — — WO disclosed
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