SCHEMBL31636751

SCHEMBL31636751

Clc1cccc(-n2cc(Br)nn2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.60
FLT3 P36888 1/20 0.57
GSK3B P49841 1/20 0.57
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
STS P08842 1/20 0.48
KDR P35968 2/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
FLT1 P17948 1/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
AMY1A P0DUB6 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MGLL Q99685 1/20 0.41
FGFR1 P11362 1/20 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
SCHEMBL10290183 0.79 NOTUM (0.60) NOTUMFLT3GSK3BKEAP1NFE2L2
SCHEMBL12352631 0.79 NOTUM (0.60) NOTUMFLT3GSK3BKEAP1NFE2L2
SCHEMBL12156463 0.78 P2RX7 (0.67) NOTUMFLT3GSK3BKEAP1NFE2L2
SCHEMBL16090354 0.77 P2RX7 (0.55) NOTUMKEAP1NFE2L2PTGS1PTGS2
SCHEMBL31636683 0.77 NOTUM (0.57) NOTUMFLT3GSK3BKEAP1NFE2L2
SCHEMBL27983551 0.77 NOTUM (0.61) NOTUMFLT3GSK3BCA9KMT2A
SCHEMBL5484732 0.76 NOTUM (1.00) NOTUMMAPT
SCHEMBL2583096 0.76 NOTUM (0.56) NOTUMFLT3GSK3BKEAP1NFE2L2
SCHEMBL10257033 0.76 NOTUM (0.56) NOTUMFLT3GSK3BKEAP1NFE2L2
SCHEMBL616473 0.76 NOTUM (0.60) NOTUMFLT3GSK3BKEAP1NFE2L2

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
WO-2025137158-A1 DERIVATIVES OF ([1,2,4]TRIAZOLO[5,1-A]ISOQUINOLINE-5-CARBONYL)GLYCINATE AS PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed