SCHEMBL26812752

SCHEMBL26812752

Cc1cc(N2CCOC[C@@H]2C(F)(F)F)cc(F)c1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 19/20 0.45
ATR Q13535 1/20 0.35
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL26812747 0.92 PIK3C3 (0.48) PIK3C3ATRPIK3CAPIK3CBPIK3CG
SCHEMBL26812751 0.82 PIK3C3 (0.41) PIK3C3PIK3CAPIK3CBPIK3CG
SCHEMBL26812741 0.80 PIK3C3 (0.39) PIK3C3ATRPIK3CAPIK3CBPIK3CG
SCHEMBL21957390 0.79 PIK3C3 (0.46) PIK3C3PIK3CAPIK3CBPIK3CG
SCHEMBL21957387 0.79 PIK3C3 (0.46) PIK3C3PIK3CAPIK3CBPIK3CG
SCHEMBL26812754 0.75 PIK3C3 (0.50) PIK3C3
SCHEMBL27410325 0.74 PIK3C3 (0.44) PIK3C3ATRPIK3CAPIK3CBPIK3CG
SCHEMBL24721330 0.74 PIK3C3 (0.44) PIK3C3ATRPIK3CAPIK3CBPIK3CG
SCHEMBL21955036 0.73 PIK3C3 (0.47) PIK3C3PIK3CAPIK3CBPIK3CG
SCHEMBL21977884 0.73 PIK3C3 (0.47) PIK3C3PIK3CAPIK3CBPIK3CG

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-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO disclosed