SCHEMBL29587459

SCHEMBL29587459

CC(O[Si](C)(C)C(C)(C)C)C(C)c1nc2cnc3[nH]ccc3c2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 16/20 0.33
JAK2 O60674 9/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
AXL P30530 1/20 0.32
PRKCI P41743 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
AURKA O14965 1/20 0.31
PRKCA P17252 1/20 0.31
KDR P35968 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL23192445 0.78 AXL (0.41) JAK1JAK2TYK2JAK3AXL
SCHEMBL20283374 0.76 JAK1 (0.46) JAK1JAK2TYK2JAK3AXL
SCHEMBL12424042 0.76 JAK1 (0.46) JAK1JAK2TYK2JAK3AXL
SCHEMBL24404372 0.72 JAK3 (0.40) JAK1JAK2TYK2JAK3AXL
SCHEMBL20290071 0.72 JAK1 (0.36) JAK1JAK2TYK2JAK3AXL
SCHEMBL30822865 0.71 CYP2C9 (0.36) JAK1JAK2JAK3
SCHEMBL29588684 0.71 CYP2C19 (0.35)
SCHEMBL12424590 0.68 PRKCI (0.47) JAK1JAK2TYK2JAK3AXL
SCHEMBL29588119 0.68 PRKCI (0.47) JAK1JAK2TYK2JAK3AXL
SCHEMBL24642433 0.67 JAK1 (0.45) JAK1JAK2TYK2JAK3AXL

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-114478528-A Aroyl-substituted tricyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2022-05-13 CN disclosed