SCHEMBL29847463

SCHEMBL29847463

c1cc(-c2ccc(OCCN3CCOCC3)cn2)c2nc(Nc3ccc(N4CCOCC4)nc3)ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.46
▸ AXL P30530 1/20 0.46
▸ AIMP2 Q13155 1/20 0.44
▸ SRC P12931 2/20 0.44
▸ MAPK10 P53779 5/20 0.44
▸ JUN P05412 4/20 0.44
▸ MAPK8 P45983 4/20 0.44
▸ SYK P43405 2/20 0.43
▸ EGFR P00533 4/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ BTK Q06187 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ TTK P33981 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ DAPK1 P53355 1/20 0.40
▸ KCNH2 Q12809 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
SCHEMBL16822934 1.00 BACE1 (0.46) BACE1AXLAIMP2SRCMAPK10
SCHEMBL29847655 0.94 WEE1 (0.43) BACE1AXLAIMP2SRCMAPK10
SCHEMBL16514723 0.94 WEE1 (0.43) BACE1AXLAIMP2SRCMAPK10
SCHEMBL16514195 0.91 MAPK10 (0.50) BACE1AXLAIMP2SRCMAPK10
SCHEMBL29847787 0.91 JUN (0.51) BACE1AXLSRCMAPK10JUN
SCHEMBL16823256 0.91 JUN (0.51) BACE1AXLSRCMAPK10JUN
SCHEMBL16823092 0.90 AIMP2 (0.46) BACE1AXLAIMP2SRCMAPK10
SCHEMBL16515205 0.90 MAPK10 (0.42) MAPK10JUNMAPK8EGFRCDK1
SCHEMBL29847827 0.90 AIMP2 (0.46) BACE1AXLAIMP2SRCMAPK10
SCHEMBL16514479 0.88 BACE1 (0.48) BACE1AXLAIMP2SRCSYK

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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