SCHEMBL29921983

SCHEMBL29921983

Clc1cnnnc1.O=C(O)N1CCN(c2nc(Cl)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
HTT P42858 4/20 0.44
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
PIK3CG P48736 2/20 0.42
AKR1C3 P42330 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL15557358 0.88 HTT (0.51) MAPTL3MBTL1POLBHTTPIK3CA
SCHEMBL27086630 0.81 MAPT (0.45) MAPTL3MBTL1POLBHTTPIK3CA
SCHEMBL477324 0.77 HSD17B10 (0.44) MAPTL3MBTL1HTTKDM4EMEN1
SCHEMBL28604242 0.76 L3MBTL1 (0.53) MAPTL3MBTL1POLBHTTPIK3CA
SCHEMBL29931675 0.73 MAPT (0.52) MAPTL3MBTL1HTTPIK3CAKDM4E
SCHEMBL1308905 0.73 MAPT (0.61) MAPTL3MBTL1POLBHTTPIK3CA
SCHEMBL14993344 0.71 POLB (0.60) POLBHTTAKR1C3
SCHEMBL909718 0.70 USP2 (0.56) MAPTL3MBTL1HTTPIK3CAMTOR
SCHEMBL17748676 0.70 PIK3CA (0.46) PIK3CAMTORPIK3CG
SCHEMBL38827 0.70 MAPT (0.57) MAPTL3MBTL1POLBHTTPIK3CA

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