SCHEMBL31290113

SCHEMBL31290113

COc1ccc(-c2nc(N3CCOCC3)c3sc(/C=C/C(=O)Nc4ccccc4)cc3n2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.56
PIK3CA P42336 7/20 0.56
HDAC1 Q13547 6/20 0.56
PIK3CD O00329 3/20 0.56
PIK3CB P42338 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
PIK3R1 P27986 3/20 0.56
HDAC6 Q9UBN7 2/20 0.56
PIK3CG P48736 2/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 1/20 0.56
PRKDC P78527 1/20 0.56
KCNH2 Q12809 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
NCOR2 Q9Y618 1/20 0.56

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
SCHEMBL31290035 0.90 MTOR (0.54) MTORPIK3CAHDAC1PIK3CDPIK3CB
SCHEMBL31290081 0.89 PIK3CA (0.59) MTORPIK3CAHDAC1PIK3CDPIK3CB
SCHEMBL31290119 0.86 PIK3CA (0.58) MTORPIK3CAHDAC1PIK3CDPIK3CB
SCHEMBL31290177 0.86 PIK3CA (0.58) MTORPIK3CAHDAC1PIK3CDPIK3CB
SCHEMBL31290073 0.86 PIK3CA (0.57) MTORPIK3CAHDAC1PIK3CDPIK3CB
SCHEMBL31290095 0.86 PIK3CA (0.59) MTORPIK3CAHDAC1PIK3CDPIK3CB
SCHEMBL31290228 0.85 PIK3CA (0.55) MTORPIK3CAHDAC1PIK3CDPIK3CB
SCHEMBL31290099 0.84 PIK3CA (0.59) MTORPIK3CAHDAC1PIK3CDPIK3CB
SCHEMBL31290143 0.84 PIK3CA (0.58) MTORPIK3CAHDAC1PIK3CDPIK3CB
SCHEMBL31290072 0.83 PIK3CA (0.59) MTORPIK3CAHDAC1PIK3CDPIK3CB

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
CN-119161359-A Novel 4-morpholinyl thieno [3,2-d ] pyrimidine compound containing acrylamide structure and application thereof 辽宁大学 2024-12-20 CN disclosed