SCHEMBL29921859

SCHEMBL29921859

CCCCOC(=O)N1CCN(c2nc(Cl)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ POLB P06746 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ MAPT P10636 5/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ P2RY12 Q9H244 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CASP1 P29466 1/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL909718 0.78 USP2 (0.56) SMN1; SMN2LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL533646 0.78 POLB (0.97) SMN1; SMN2POLBLMNAMAPTL3MBTL1
SCHEMBL28604242 0.77 L3MBTL1 (0.53) SMN1; SMN2POLBLMNAMAPTL3MBTL1
SCHEMBL9067293 0.76 POLB (0.85) SMN1; SMN2POLBLMNAMAPTALDH1A1
SCHEMBL15557358 0.76 HTT (0.51) SMN1; SMN2POLBLMNAMAPTL3MBTL1
SCHEMBL11037821 0.74 POLB (0.87) SMN1; SMN2POLBLMNAMAPTL3MBTL1
SCHEMBL15386968 0.73 MAPT (0.47) SMN1; SMN2LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL9405372 0.73 POLB (0.73) SMN1; SMN2POLBLMNAMAPTALDH1A1
SCHEMBL30943574 0.73 POLB (0.85) SMN1; SMN2POLBLMNAMAPTL3MBTL1
SCHEMBL18672819 0.72 POLB (0.84) SMN1; SMN2POLBLMNAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4320110-A1 TRIAZINE DERIVATIVE AS COVALENT INHIBITORS OF PI3K Universität Basel (CH) 2024-02-14 — — EP disclosed
EP-4320115-A1 TRIAZINE DERIVATIVE AS REVERSIBLE AND IRREVERSIBLE COVALENT INHIBITORS OF PI3K Universität Basel (CH) 2024-02-14 — — EP disclosed
WO-2022214701-A1 TRIAZINE DERIVATIVE AS COVALENT INHIBITORS OF PI3K UNIVERSITÄT BASEL (CH) 2022-10-13 — — WO disclosed
WO-2022214702-A1 TRIAZINE DERIVATIVE AS REVERSIBLE AND IRREVERSIBLE COVALENT INHIBITORS OF PI3K UNIVERSITÄT BASEL (CH) 2022-10-13 — — WO disclosed
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