SCHEMBL29847655

SCHEMBL29847655

c1cc(-c2ccc(OCCN3CCOCC3)cn2)c2nc(Nc3ccc(N4CCNCC4)nc3)ncc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 1/20 0.43
▸ AXL P30530 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ SRC P12931 2/20 0.41
▸ JUN P05412 4/20 0.41
▸ MAPK8 P45983 4/20 0.41
▸ MAPK10 P53779 4/20 0.41
▸ EGFR P00533 4/20 0.41
▸ SYK P43405 3/20 0.40
▸ AIMP2 Q13155 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ BTK Q06187 1/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ KDR P35968 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ CDK4 P11802 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCND1 P24385 1/20 0.38

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
SCHEMBL16514723 1.00 WEE1 (0.43) WEE1AXLBACE1SRCJUN
SCHEMBL16822934 0.94 BACE1 (0.46) AXLBACE1SRCJUNMAPK8
SCHEMBL29847463 0.94 BACE1 (0.46) AXLBACE1SRCJUNMAPK8
SCHEMBL29847900 0.92 MAPK10 (0.47) WEE1AXLBACE1SRCJUN
SCHEMBL16514604 0.92 MAPK10 (0.47) WEE1AXLBACE1SRCJUN
SCHEMBL29847548 0.91 JUN (0.48) WEE1SRCJUNMAPK8MAPK10
SCHEMBL16515243 0.91 JUN (0.48) WEE1SRCJUNMAPK8MAPK10
SCHEMBL29847446 0.90 SYK (0.43) WEE1AXLBACE1SRCJUN
SCHEMBL16513803 0.90 SYK (0.43) WEE1AXLBACE1SRCJUN
SCHEMBL29848176 0.89 PRKCQ (0.46) WEE1SRCJUNMAPK8MAPK10

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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