SCHEMBL29372807

SCHEMBL29372807

CC(O)Cc1ccc2nccn2c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.58
CPB2 Q96IY4 1/20 0.50
DAO P14920 1/20 0.45
RET P07949 3/20 0.43
DYRK1A Q13627 2/20 0.42
MERTK Q12866 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
AXL P30530 1/20 0.40
FLT3 P36888 1/20 0.40
NAMPT P43490 7/20 0.39
TGFBR1 P36897 1/20 0.38
MASP2 O00187 1/20 0.38

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
SCHEMBL19368821 0.87 KEAP1 (0.67) KEAP1CPB2DAORETDYRK1A
SCHEMBL2049672 0.78 KEAP1 (0.68) KEAP1CPB2DAORETDYRK1A
SCHEMBL74518 0.78 KEAP1 (0.68) KEAP1CPB2DAORETDYRK1A
SCHEMBL29373664 0.77 NAMPT (0.40) KEAP1CPB2NAMPTMASP2
SCHEMBL1500299 0.77 KEAP1 (0.54) KEAP1CPB2DAORETDYRK1A
SCHEMBL19764528 0.76 KEAP1 (0.57) KEAP1CPB2DAODYRK1AMERTK
Ammonia Solution, Strong SCHEMBL28922912 0.76 KEAP1 (0.66) KEAP1CPB2DAORETDYRK1A
SCHEMBL31370539 0.76 CPB2 (0.58) KEAP1CPB2DAORETNAMPT
SCHEMBL19973166 0.75 KEAP1 (0.48) KEAP1CPB2DAORETDYRK1A
SCHEMBL24484881 0.75 KEAP1 (0.64) KEAP1CPB2DAORETDYRK1A

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-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 EP disclosed
CN-118613480-A Polycyclic IRAK and FLT3 inhibiting compounds and uses thereof 儿童医院医学中心 2024-09-06 CN disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 WO disclosed
WO-2022026935-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-02-03 WO disclosed