SCHEMBL2549015

SCHEMBL2549015

NCCc1nc2ccc(F)cn2c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 7/20 0.48
▸ AKT2 P31751 6/20 0.48
▸ PIK3CD O00329 1/20 0.41
▸ PIK3R1 P27986 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ CYP11B1 P15538 3/20 0.39
▸ CYP11B2 P19099 3/20 0.39
▸ ALDH1A3 P47895 1/20 0.37
▸ SLC2A1 P11166 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ IL1R1 P14778 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL1318629 0.78 AKT1 (0.53) AKT1AKT2PIK3CDPIK3R1PIK3CB
SCHEMBL2715655 0.74 PIK3CD (0.44) PIK3CDSLC2A1TRPA1
SCHEMBL2548473 0.73 PIK3CD (0.64) PIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL2504442 0.72 PIK3CD (0.55) AKT1AKT2PIK3CDPIK3R1PIK3CB
SCHEMBL12196845 0.71 PIK3CD (0.54) AKT1AKT2PIK3CDPIK3R1PIK3CB
SCHEMBL15730473 0.69 AKT1 (0.56) AKT1AKT2CYP11B1CYP11B2ALDH1A3
Hydrochloric Acid SCHEMBL18128834 0.68 AKT1 (0.55) AKT1AKT2CYP11B1CYP11B2ALDH1A3
SCHEMBL1320928 0.66 MAPK14 (0.49) AKT1AKT2
SCHEMBL30847319 0.66 AKT1 (0.50) AKT1AKT2CYP11B1CYP11B2ALDH1A3
SCHEMBL2545478 0.66 CYP11B1 (0.43) PIK3CDPIK3R1PIK3CBPIK3CGCYP11B1

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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