SCHEMBL12683042

SCHEMBL12683042

C[C@@H](N)c1nc2ccc(F)cc2n1-c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.59
PIK3R1 P27986 8/20 0.59
PIK3CG P48736 8/20 0.59
PIK3CB P42338 7/20 0.59
PIK3CA P42336 6/20 0.59
CYP11B2 P19099 8/20 0.54
CYP11B1 P15538 5/20 0.54
CYP1A2 P05177 1/20 0.43
METAP2 P50579 1/20 0.43
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 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
SCHEMBL2504520 1.00 PIK3CD (0.59) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL11901977 1.00 PIK3CD (0.59) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL11902222 0.91 PIK3CD (0.57) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL12471676 0.91 PIK3CD (0.57) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL12473036 0.87 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL11901772 0.87 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL2505813 0.86 PIK3CD (0.55) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL12473152 0.86 PIK3CD (0.55) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL2507360 0.85 PIK3CD (0.57) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL11901233 0.85 PIK3CD (0.57) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA

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-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed