SCHEMBL30353070

SCHEMBL30353070

Cc1cc(Oc2cc(C#N)ccc2-c2ncc(CCN)cn2)cc(N2CCOC[C@H]2C)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.39
PIK3CA P42336 12/20 0.38
PIK3R1 P27986 7/20 0.38
ATR Q13535 3/20 0.37
ATRIP Q8WXE1 3/20 0.37
CHEK1 O14757 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
LRRK2 Q5S007 1/20 0.36
PIK3CG P48736 2/20 0.36
RICTOR Q6R327 1/20 0.36
RPTOR Q8N122 1/20 0.36
MAPKAP1 Q9BPZ7 1/20 0.36
MLST8 Q9BVC4 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3C3 Q8NEB9 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
SCHEMBL30353085 1.00 MTOR (0.39) MTORPIK3CAPIK3R1ATRATRIP
SCHEMBL25554625 1.00 MTOR (0.39) MTORPIK3CAPIK3R1ATRATRIP
SCHEMBL25554628 1.00 MTOR (0.39) MTORPIK3CAPIK3R1ATRATRIP
SCHEMBL30256596 0.89 LMNA (0.42) MTORPIK3CAPIK3CDPIK3CBPIK3C3
SCHEMBL23949247 0.89 LMNA (0.42) MTORPIK3CAPIK3CDPIK3CBPIK3C3
SCHEMBL30256947 0.86 PIK3CA (0.35) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL25554572 0.86 PIK3CA (0.35) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL30353124 0.85 ALDH1A1 (0.41) MTORPIK3CA
SCHEMBL25554226 0.85 ALDH1A1 (0.41) MTORPIK3CA
SCHEMBL25555242 0.84 CYP11B2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN claimed
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN disclosed