SCHEMBL17857013

SCHEMBL17857013

COC(=O)c1cc(C2=CCOCC2)nn2c(Cc3cccc(C(F)(F)F)c3C)c(C)nc12

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.84
PIK3C2B O00750 15/20 0.84
PIK3CG P48736 11/20 0.84
MTOR P42345 12/20 0.57
PIK3CB P42338 10/20 0.57
PIK3CA P42336 5/20 0.57

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
SCHEMBL17857196 0.91 PIK3CD (1.00) PIK3CDPIK3C2BPIK3CGMTORPIK3CB
SCHEMBL19760569 0.91 PIK3CD (0.88) PIK3CDPIK3C2BPIK3CGMTORPIK3CB
SCHEMBL19760574 0.83 PIK3CD (0.74) PIK3CDPIK3C2BPIK3CGMTORPIK3CB
SCHEMBL19736913 0.82 PIK3CD (0.61) PIK3CDPIK3C2BPIK3CGMTORPIK3CB
SCHEMBL19760567 0.82 PIK3CD (0.83) PIK3CDPIK3C2BPIK3CGMTORPIK3CB
SCHEMBL21120259 0.77 PIK3CD (0.85) PIK3CDPIK3C2BPIK3CGMTORPIK3CB
SCHEMBL19736623 0.76 PIK3CD (0.69) PIK3CDPIK3C2BPIK3CGMTORPIK3CB
SCHEMBL19736625 0.76 PIK3CD (0.61) PIK3CDPIK3C2BPIK3CGMTORPIK3CB
SCHEMBL21120003 0.76 PIK3CD (0.50) PIK3CDPIK3C2BPIK3CGMTORPIK3CB
SCHEMBL19736718 0.76 PIK3CD (0.63) PIK3CDPIK3C2BPIK3CGMTORPIK3CB

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-3233862-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-07-03 EP disclosed
WO-2016097347-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS ΡΙ3Κβ INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 WO disclosed