SCHEMBL29948104

SCHEMBL29948104

COC(=O)c1ccnc2ccc(N3CCOCC3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.45
PIK3CB P42338 2/20 0.44
ATR Q13535 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.42
ATRIP Q8WXE1 2/20 0.42
SHMT2 P34897 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALOX15 P16050 2/20 0.41
PIK3CD O00329 1/20 0.41
MCHR1 Q99705 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL21997022 1.00 PIK3CA (0.45) PIK3CAPIK3CBATRMAPTMEN1
SCHEMBL22014120 0.89 MAP4K4 (0.45) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL21997840 0.85 PIK3CA (0.52) PIK3CAATRMAPTMEN1KMT2A
SCHEMBL29947967 0.84 ATR (0.51) PIK3CAATRALDH1A1GAAATRIP
SCHEMBL23946207 0.77 ALDH1A1 (0.44) PIK3CAPIK3CBMAPTMEN1KMT2A
SCHEMBL24532867 0.76 MAPT (0.58) PIK3CAPIK3CBMAPTMEN1KMT2A
SCHEMBL12701227 0.75 PKM (0.57) PIK3CAPIK3CBMAPTMEN1KMT2A
SCHEMBL21997997 0.74 PSMD14 (0.43) ATRMAPTMEN1KMT2AALDH1A1
SCHEMBL29918750 0.74 PSMD14 (0.43) ATRMAPTMEN1KMT2AALDH1A1
SCHEMBL27144759 0.73 MCHR1 (0.52) PIK3CAPIK3CBMAPTMEN1KMT2A

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
EP-3886904-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2026-04-22 EP disclosed
EP-4076536-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-10-26 EP disclosed