SCHEMBL12683083

SCHEMBL12683083

CC(C)c1nc2ccc(F)cc2n1-c1cncc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.57
PIK3R1 P27986 8/20 0.57
PIK3CG P48736 8/20 0.57
PIK3CB P42338 7/20 0.57
PIK3CA P42336 6/20 0.57
CYP11B2 P19099 7/20 0.45
CYP11B1 P15538 6/20 0.43
PDE10A Q9Y233 2/20 0.38
CYP1A2 P05177 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL2507360 0.90 PIK3CD (0.57) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL11901233 0.90 PIK3CD (0.57) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
Hydrochloric Acid SCHEMBL12473096 0.88 PIK3CD (0.56) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL11900554 0.84 PIK3CD (0.52) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL12472541 0.84 PIK3CD (0.52) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL12683258 0.83 PDE10A (0.52) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL2506849 0.82 PIK3CD (0.56) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL12197095 0.80 PIK3CD (0.48) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL2505594 0.79 PIK3CD (0.48) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL2502105 0.79 PIK3CD (0.48) 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