SCHEMBL29848007

SCHEMBL29848007

CN(C)CCOc1ccnc(-c2cccc3c(N)nc(Nc4ccc(N5CCOCC5)cc4)nc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.44
▸ PLK4 O00444 6/20 0.41
▸ AXL P30530 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ JAK3 P52333 3/20 0.40
▸ FGFR1 P11362 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ EPHB4 P54760 2/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ CIT O14578 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ GAK O14976 1/20 0.40
▸ EPHB6 O15197 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ RIPK2 O43353 1/20 0.40
▸ BUB1 O43683 1/20 0.40

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
SCHEMBL16515085 1.00 JAK2 (0.44) JAK2PLK4AXLTP53MAPT
SCHEMBL16514000 0.91 AIMP2 (0.40) JAK2AXLCCNT1EGFRCDK4
SCHEMBL29847728 0.91 AIMP2 (0.40) JAK2AXLCCNT1EGFRCDK4
SCHEMBL29847539 0.90 BACE1 (0.47) JAK2PLK4AXLJAK3SRC
SCHEMBL16514114 0.90 BACE1 (0.47) JAK2PLK4AXLJAK3SRC
SCHEMBL16513949 0.89 ERBB3 (0.42) JAK2PLK4AXLTP53MAPT
SCHEMBL18393372 0.89 ITK (0.45) JAK2PLK4TP53MAPTMAPK1
SCHEMBL16513845 0.89 JAK2 (0.42) JAK2PLK4AXLTP53MAPT
SCHEMBL28388501 0.88 TGFBR1 (0.40) EPHB4CCNT1TGFBR1CDK9MKNK2
SCHEMBL16515135 0.87 SRC (0.43) JAK2AXLTP53MAPTMAPK1

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-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
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