SCHEMBL29183992

SCHEMBL29183992

COC(=O)CCCCCN1CCN(c2nc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.57
PIK3R1 P27986 14/20 0.57
MTOR P42345 8/20 0.57
HDAC1 Q13547 5/20 0.50
PIK3CD O00329 2/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
HDAC6 Q9UBN7 4/20 0.49
PIK3C2B O00750 1/20 0.49
HDAC3 O15379 1/20 0.49
PRKDC P78527 1/20 0.49
PIK3C3 Q8NEB9 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
NCOR2 Q9Y618 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
SCHEMBL29183975 0.99 PIK3CA (0.58) PIK3CAPIK3R1MTORHDAC1PIK3CD
SCHEMBL29183819 0.90 PIK3CA (0.60) PIK3CAPIK3R1MTORHDAC1PIK3CD
SCHEMBL29183799 0.89 PIK3CA (0.61) PIK3CAPIK3R1MTORHDAC1PIK3CD
SCHEMBL29183880 0.88 PIK3CA (0.64) PIK3CAPIK3R1MTORHDAC1PIK3CD
SCHEMBL29184000 0.87 PIK3CA (0.64) PIK3CAPIK3R1MTORHDAC1PIK3CD
SCHEMBL29183994 0.87 PIK3CA (0.58) PIK3CAPIK3R1MTORHDAC1PIK3CG
SCHEMBL29183820 0.86 PIK3CA (0.58) PIK3CAPIK3R1MTOR
SCHEMBL29184046 0.85 PIK3CA (0.64) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL29183797 0.85 MTOR (0.65) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL29183995 0.84 DRD2 (0.43) PIK3CAPIK3R1MTORHDAC1PIK3CD

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-117777042-A Triazine hydroxamic acid derivative and preparation method and application thereof 长沙医学院 2024-03-29 CN disclosed