SCHEMBL28530832

SCHEMBL28530832

C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C4(CC#N)CN(C5CCN(Cc6ccnc(C(F)(F)F)c6F)CC5)C4)c3)ncnc21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.67
JAK1 P23458 15/20 0.67
TYK2 P29597 1/20 0.51
AXL P30530 1/20 0.51
JAK3 P52333 1/20 0.51
TYRO3 Q06418 1/20 0.51
MERTK Q12866 1/20 0.51

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
SCHEMBL2393747 0.88 JAK2 (0.68) JAK2JAK1TYK2AXLJAK3
SCHEMBL30986052 0.88 JAK2 (0.68) JAK2JAK1TYK2AXLJAK3
SCHEMBL2396399 0.87 JAK2 (0.69) JAK2JAK1
SCHEMBL31103238 0.86 JAK2 (0.50) JAK2JAK1TYK2AXLJAK3
SCHEMBL31103385 0.85 JAK2 (0.49) JAK2JAK1TYK2AXLJAK3
SCHEMBL2395967 0.82 JAK2 (0.49) JAK2JAK1
SCHEMBL19304379 0.82 JAK2 (0.68) JAK2JAK1TYK2AXLJAK3
SCHEMBL2398827 0.81 JAK2 (0.55) JAK2JAK1
Hydrochloric Acid SCHEMBL2394938 0.81 JAK2 (0.48) JAK2JAK1
SCHEMBL19304405 0.81 JAK2 (0.69) JAK2JAK1

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-112494652-A JAK1 inhibitors for the treatment of myelodysplastic syndrome 因赛特公司 2021-03-16 CN disclosed