SCHEMBL24100545

SCHEMBL24100545

Cc1nc(N2CCCOCC2)c2cc(C(=O)N3CCNCC3)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.42
PIK3CA P42336 4/20 0.39
PIK3R1 P27986 3/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CB P42338 2/20 0.39
MTOR P42345 1/20 0.38
GRM5 P41594 4/20 0.37
FLT3 P36888 2/20 0.37
MAP4K4 O95819 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL21135797 0.79 PIK3CD (0.39) PIK3CDPIK3CAPIK3R1PIK3CGPIK3CB
SCHEMBL30312332 0.74 PIKFYVE (0.51) PIK3CDPIK3CAPIK3CBMTORKDM4E
SCHEMBL23272151 0.74 PIKFYVE (0.51) PIK3CDPIK3CAPIK3CBMTORKDM4E
SCHEMBL21135798 0.71 PIK3CA (0.41) PIK3CDPIK3CAPIK3R1PIK3CGPIK3CB
SCHEMBL17708307 0.71 PIK3CA (0.51) PIK3CDPIK3CAPIK3R1PIK3CGPIK3CB
SCHEMBL16727864 0.69 PIK3CA (0.56) PIK3CDPIK3CAPIK3R1PIK3CGPIK3CB
SCHEMBL23139995 0.68 NUDT1 (0.40) PIK3CDPIK3CAPIK3R1PIK3CGPIK3CB
SCHEMBL16611524 0.67 PIK3CA (0.60) PIK3CDPIK3CAPIK3R1PIK3CGPIK3CB
SCHEMBL17708308 0.66 PIK3CA (0.43) PIK3CDPIK3CAPIK3R1PIK3CGPIK3CB
SCHEMBL21055523 0.66 PIKFYVE (0.54) PIK3CDPIK3CAPIK3CBMTORKDM4E

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-2021252895-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2021-12-16 WO disclosed