SCHEMBL17857136

SCHEMBL17857136

Cc1c(F)cccc1Cc1c(CO[Si](C)(C)C(C)(C)C)nc2c(I)cc(N3CCOCC3)nn12

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3C2B O00750 18/20 0.61
PIK3CD O00329 18/20 0.61
MTOR P42345 16/20 0.61
PIK3CG P48736 14/20 0.61
PIK3CB P42338 7/20 0.51
PIK3CA P42336 4/20 0.49

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
SCHEMBL19760613 0.92 PIK3CD (0.62) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL19760540 0.91 PIK3C2B (0.64) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL17857180 0.91 PIK3C2B (0.62) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL19760603 0.91 PIK3CD (0.55) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL19760618 0.89 PIK3CD (0.64) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL17857409 0.86 PIK3CD (0.81) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL21386305 0.86 PIK3C2B (0.56) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL19760612 0.85 PIK3C2B (0.53) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL19760614 0.85 PIK3CD (0.56) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL19913073 0.83 PIK3C2B (0.63) PIK3C2BPIK3CDMTORPIK3CGPIK3CB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233839-B1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-25 EP disclosed
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
WO-2016097359-A1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 WO disclosed