SCHEMBL2545478

SCHEMBL2545478

O=C(O)NCCc1nc2ccc(F)cn2c1-c1cncc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 15/20 0.43
▸ CYP11B2 P19099 15/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ PIK3CD O00329 1/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ IDO1 P14902 1/20 0.38
▸ TRPA1 O75762 1/20 0.36
▸ GABRA1 P14867 2/20 0.34
▸ GABRB2 P47870 2/20 0.34

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
SCHEMBL2510619 0.74 PIK3CD (0.57) CYP11B1CYP11B2CYP19A1PIK3CDPIK3R1
SCHEMBL2551721 0.73 CYP11B1 (0.44) CYP11B1CYP11B2CYP19A1PIK3CDPIK3R1
SCHEMBL12196828 0.69 PIK3CD (0.57) CYP11B1CYP11B2CYP19A1PIK3CDPIK3R1
SCHEMBL12265568 0.67 PIK3CD (0.49) CYP11B1CYP11B2CYP19A1PIK3CDPIK3R1
SCHEMBL2553878 0.67 PIK3CD (0.58) CYP11B1CYP11B2CYP19A1PIK3CDPIK3R1
SCHEMBL2507030 0.67 PIK3CD (0.58) CYP11B1CYP11B2CYP19A1PIK3CDPIK3R1
SCHEMBL12263414 0.66 PIK3CD (0.68) CYP11B1CYP11B2CYP19A1PIK3CDPIK3R1
SCHEMBL15188267 0.66 CYP11B2 (0.53) CYP11B1CYP11B2CYP19A1PIK3CDPIK3R1
SCHEMBL2549015 0.66 AKT1 (0.48) CYP11B1CYP11B2PIK3CDPIK3R1PIK3CB
SCHEMBL15261705 0.62 ATM (0.51) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 — — EP disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 — — WO disclosed
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