SCHEMBL28601415

SCHEMBL28601415

c1ccc(-c2ccc(-c3cnc4[nH]ccc4c3NC3CCCCC3)cc2)nc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.63
JAK2 O60674 8/20 0.63
JAK3 P52333 3/20 0.61
HPGDS O60760 1/20 0.45
AXL P30530 1/20 0.45
FLT3 P36888 1/20 0.45
TYRO3 Q06418 1/20 0.45
MERTK Q12866 1/20 0.45
GAS6 Q14393 1/20 0.45

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
SCHEMBL30173329 1.00 JAK1 (0.63) JAK1JAK2JAK3HPGDSAXL
SCHEMBL30173276 0.91 JAK2 (0.72) JAK1JAK2JAK3HPGDSAXL
SCHEMBL28919002 0.91 JAK2 (0.72) JAK1JAK2JAK3HPGDSAXL
SCHEMBL28603790 0.87 JAK1 (0.72) JAK1JAK2JAK3HPGDS
SCHEMBL30173268 0.87 JAK1 (0.72) JAK1JAK2JAK3HPGDS
SCHEMBL28596869 0.83 JAK1 (0.69) JAK1JAK2JAK3
SCHEMBL30173344 0.83 JAK1 (0.69) JAK1JAK2JAK3
SCHEMBL28608389 0.83 JAK1 (0.69) JAK1JAK2HPGDS
SCHEMBL30173275 0.83 JAK1 (0.69) JAK1JAK2HPGDS
SCHEMBL30173293 0.81 JAK1 (0.67) JAK1JAK2JAK3

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