SCHEMBL24018528

SCHEMBL24018528

Nc1c(F)cc(-c2cnccn2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.48
▸ FEN1 P39748 3/20 0.48
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PI4KA P42356 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43
▸ PIM1 P11309 4/20 0.40
▸ PIM2 Q9P1W9 3/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ NISCH Q9Y2I1 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HDAC3 O15379 1/20 0.35

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
SCHEMBL18812089 0.84 ALOX5AP (0.43) ALOX5APFEN1PIK3CDPIK3CAPIK3CB
SCHEMBL21044461 0.81 ALOX5AP (0.49) ALOX5APFEN1PIK3CDPIK3CAPIK3CB
SCHEMBL21044391 0.80 ALOX5AP (0.51) ALOX5APFEN1PIK3CDPIK3CAPIK3CB
SCHEMBL18518453 0.77 ALDH1A1 (0.48) ALOX5APFEN1PIK3CDPIK3CAPIK3CB
SCHEMBL16640379 0.77 ALOX5AP (0.48) ALOX5APFEN1PIK3CDPIK3CAPIK3CB
SCHEMBL20456783 0.77 ALOX5AP (0.39) ALOX5APFEN1PIK3CDPIK3CAPIK3CB
SCHEMBL20469167 0.73 ASIC3 (0.40) ALOX5APFEN1MAPTBACE1
SCHEMBL22053021 0.73 ALOX5AP (0.45) ALOX5APFEN1PIK3CDPIK3CAPIK3CB
SCHEMBL2559473 0.73 KMO (0.49) ALOX5APFEN1PIK3CDPIK3CAPIK3CB
SCHEMBL22334571 0.72 PIK3CD (0.45) ALOX5APFEN1PIK3CDPIK3CAPIK3CB

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
EP-3909949-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS Gilead Sciences, Inc. (US) 2021-11-17 — — EP disclosed
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