SCHEMBL28919002

SCHEMBL28919002

c1ccc(-c2cnc3[nH]ccc3c2NC2CCCCC2)nc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.72
JAK1 P23458 12/20 0.72
JAK3 P52333 9/20 0.72
PRKCI P41743 1/20 0.51
AXL P30530 1/20 0.51
FLT3 P36888 1/20 0.51
TYRO3 Q06418 1/20 0.51
MERTK Q12866 1/20 0.51
GAS6 Q14393 1/20 0.51
HPGDS O60760 1/20 0.46
TYK2 P29597 1/20 0.46

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
SCHEMBL30173276 1.00 JAK2 (0.72) JAK2JAK1JAK3PRKCIAXL
SCHEMBL30173329 0.91 JAK1 (0.63) JAK2JAK1JAK3AXLFLT3
SCHEMBL28601415 0.91 JAK1 (0.63) JAK2JAK1JAK3AXLFLT3
SCHEMBL29855321 0.84 JAK3 (1.00) JAK2JAK1JAK3PRKCIAXL
SCHEMBL22613102 0.84 JAK3 (1.00) JAK2JAK1JAK3PRKCIAXL
SCHEMBL30173268 0.84 JAK1 (0.72) JAK2JAK1JAK3HPGDS
SCHEMBL28603790 0.84 JAK1 (0.72) JAK2JAK1JAK3HPGDS
SCHEMBL28614739 0.80 JAK1 (0.67) JAK2JAK1JAK3
SCHEMBL30173293 0.80 JAK1 (0.67) JAK2JAK1JAK3
SCHEMBL28598975 0.80 JAK1 (0.60) JAK2JAK1JAK3HPGDS

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
CN-113200983-B Compound with pyrrolopyridine structure, preparation method and medical application 中国药科大学 2023-01-03 CN disclosed
CN-113200983-A Compound with pyrrolopyridine structure, preparation method and medical application 中国药科大学 2021-08-03 CN disclosed