SCHEMBL29968899

SCHEMBL29968899

N#Cc1ccnc(Nc2cc(Cl)nc(Cl)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
TYK2 P29597 1/20 0.46
MAP3K12 Q12852 13/20 0.43
PIK3C3 Q8NEB9 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
IDH1 O75874 1/20 0.39
GRM5 P41594 1/20 0.38
DLK1 P80370 1/20 0.36
DRG1 Q9Y295 1/20 0.36

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
SCHEMBL23762975 1.00 JAK2 (0.46) JAK2TYK2MAP3K12PIK3C3TRPV4
SCHEMBL18153298 0.78 ABCG2 (0.54) PIK3C3
SCHEMBL15205840 0.78 MAP3K12 (0.58) JAK2TYK2MAP3K12DLK1DRG1
SCHEMBL8298737 0.78 ABCG2 (0.52)
SCHEMBL15535083 0.77 MAP3K12 (0.51) JAK2TYK2MAP3K12TRPV4IDH1
SCHEMBL16573749 0.75 MAP3K12 (0.53) JAK2TYK2MAP3K12DLK1DRG1
SCHEMBL4595845 0.74 KMT2A (0.48) JAK2TYK2GRM5
SCHEMBL15602473 0.74 MAP3K12 (0.53) JAK2TYK2MAP3K12DLK1DRG1
SCHEMBL15536418 0.73 MAP3K12 (0.61) MAP3K12DLK1DRG1
SCHEMBL15602598 0.72 MAP3K12 (0.65) JAK2TYK2MAP3K12

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
CN-115151534-A Inhibitors of interleukin-1 receptor-related kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2022-10-04 CN disclosed