SCHEMBL17857409

SCHEMBL17857409

Cc1c(F)cccc1Cc1c(CO)nc2c(I)cc(N3CCOCC3)nn12

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.81
PIK3C2B O00750 18/20 0.81
MTOR P42345 15/20 0.81
PIK3CG P48736 14/20 0.81
PIK3CB P42338 4/20 0.64
PIK3CA P42336 1/20 0.62

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
SCHEMBL17858596 0.91 PIK3CD (0.83) PIK3CDPIK3C2BMTORPIK3CGPIK3CB
SCHEMBL17857378 0.90 PIK3CD (0.81) PIK3CDPIK3C2BMTORPIK3CGPIK3CB
SCHEMBL21120267 0.89 PIK3CD (0.81) PIK3CDPIK3C2BMTORPIK3CGPIK3CB
SCHEMBL17857375 0.89 PIK3CD (1.00) PIK3CDPIK3C2BMTORPIK3CGPIK3CB
SCHEMBL17858662 0.89 PIK3CD (0.81) PIK3CDPIK3C2BMTORPIK3CGPIK3CB
SCHEMBL17857136 0.86 PIK3C2B (0.61) PIK3CDPIK3C2BMTORPIK3CGPIK3CB
SCHEMBL17858659 0.85 PIK3CD (0.60) PIK3CDPIK3C2BMTORPIK3CGPIK3CB
SCHEMBL17857322 0.85 PIK3CD (0.59) PIK3CDPIK3C2BMTORPIK3CGPIK3CB
SCHEMBL17858592 0.83 PIK3CD (0.71) PIK3CDPIK3C2BMTORPIK3CGPIK3CB
SCHEMBL21386305 0.81 PIK3C2B (0.56) PIK3CDPIK3C2BMTORPIK3CGPIK3CB

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-2016097347-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS ΡΙ3Κβ INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 WO disclosed