SCHEMBL18174475

SCHEMBL18174475

Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCCCC6)c(C(F)(F)F)c5)c4c3n2)cn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.57
MTOR P42345 18/20 0.56
PIK3CD O00329 2/20 0.49
PIK3C2A O00443 2/20 0.49
PIK3C2B O00750 2/20 0.49
PIK3R1 P27986 2/20 0.49
PIK3CG P48736 2/20 0.49
PRKDC P78527 2/20 0.49
RPTOR Q8N122 2/20 0.49
PIK3C3 Q8NEB9 2/20 0.49
MLST8 Q9BVC4 2/20 0.49
PI4KB Q9UBF8 2/20 0.49
CDC42BPA Q5VT25 1/20 0.49
RICTOR Q6R327 1/20 0.49
MAPKAP1 Q9BPZ7 1/20 0.49
PIK3CB P42338 1/20 0.49
ATM Q13315 1/20 0.49
ATR Q13535 1/20 0.49
MKNK2 Q9HBH9 1/20 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
SCHEMBL14239211 0.93 MTOR (0.65) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
Hydrochloric Acid SCHEMBL18162705 0.92 MTOR (0.65) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL18174518 0.92 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL18174514 0.90 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL20421419 0.90 MTOR (0.57) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL18174473 0.88 MTOR (0.59) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL15641419 0.87 MTOR (0.56) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL6875392 0.82 MTOR (0.80) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL14240434 0.81 MTOR (0.63) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL18174472 0.81 MTOR (0.63) PIK3CAMTORPIK3CDPIK3C2APIK3C2B

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
US-9475812-B2 Pyridonaphthyridine type dual PI3K and mTOR inhibitor and its preparation and use Xuanzhu Pharma Co., Ltd. (CN) 2016-10-25 US disclosed