SCHEMBL172152

SCHEMBL172152

Cc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NC(C)C)sc3C2)nc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CG P48736 8/20 0.41
P2RY1 P47900 2/20 0.39
GCK P35557 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL799149 0.91 LMNA (0.43) LMNAMEN1KMT2APIK3CGP2RY1
SCHEMBL799343 0.89 LMNA (0.42) LMNAMEN1KMT2APIK3CGGCK
SCHEMBL799148 0.84 LMNA (0.43) LMNAMEN1KMT2APIK3CGP2RY1
SCHEMBL805072 0.84 LMNA (0.44) LMNAMEN1KMT2APIK3CGP2RY1
SCHEMBL799225 0.84 PIK3CG (0.49) LMNAMEN1KMT2APIK3CGGCK
SCHEMBL799051 0.84 PIK3CG (0.47) LMNAMEN1KMT2APIK3CGGCK
SCHEMBL798945 0.83 P2RY1 (0.40) LMNAMEN1KMT2APIK3CGP2RY1
SCHEMBL798946 0.83 P2RY1 (0.40) LMNAMEN1KMT2APIK3CGP2RY1
SCHEMBL799264 0.83 PIK3CG (0.43) LMNAMEN1KMT2APIK3CGP2RY1
SCHEMBL798914 0.83 PIK3CG (0.51) LMNAMEN1KMT2APIK3CGP2RY1

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
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP disclosed